17733 <common-name>Chlorphenesin carbamate</common-name> <description nil="true"/> <cas>886-74-8</cas> <pubchem-id>2724</pubchem-id> <chemical-formula>C10H12ClNO4</chemical-formula> <weight>245.66</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T03:38:50Z</created-at> <updated-at type="dateTime">2026-08-17T23:17:50Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB14656</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>OC(COC(O)=N)COC1=CC=C(Cl)C=C1</moldb-smiles> <moldb-formula>C10H12ClNO4</moldb-formula> <moldb-inchi>InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)</moldb-inchi> <moldb-inchikey>SKPLBLUECSEIFO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">245.66</moldb-average-mass> <moldb-mono-mass type="decimal">245.0454856</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.21</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2623</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM016628</chemdb-id> <dsstox-id>DTXSID5022803</dsstox-id> <toxcast-id>22803</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039287</susdat-id> <iupac>3-(4-chlorophenoxy)-2-hydroxypropyl carbamate</iupac> <moldb-polar-surface-area>82.77000000000001</moldb-polar-surface-area> <moldb-refractivity>68.6145</moldb-refractivity> <moldb-polarizability>23.62524556682451</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>-3.3063978931826297</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>11.227135979772285</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.22</moldb-alogps-logp> <moldb-alogps-logs>-2.80</moldb-alogps-logs> <moldb-alogps-solubility>3.91e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer">53</paper-count> <sync-id>CED0022990</sync-id> <structure-inchikey>SKPLBLUECSEIFO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800002000200000810000000000000000080100000000000000000000000200000000000000004000000000000000000000000000000001000000000400000000000000100000000200000000100000200000000000000000000010080000001000000000000000000000000000000000000000000000000000000020000000080000000000000000000000020000000000000000000000000000000000000000000080000000000000804080000000000000000000000000000000000000000000000000000000010000000000000000200000000000000000000000000000040000000000000000000000000000000000000000200</structure-fingerprint> <structure-pattern-fingerprint>122020000000000010820000000080000052000002000400200000440020804008000000000010000800004042000a0008c30010000443000a00000c4110400020002100080100000620000000001004000003240000420000001000c2004040040820000000000443000012000801008012004112800000211000240400008044000080800024008080008111c001244001402000c080000000000804300001000c00000000840113c231002c0000008410840100000000040021000000204040000020180000000050280000000004200400001000000080000000000080000000000000000021000200402100090804080060000010050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(�������h��������h��������`�������(������@(������@h�������@h�������@(������� �����@h�������@h������������������ �� ��(�������� h� �h���h�� ���h���h�� h�B����� ���� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:06:31Z</structure-indexed-at> </compound>