[NO NAME]
  Mrv0541 04171216562D          
Created with ChemWriter - http://chemwriter.com
 22 25  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
CHEM045929

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC=C2NC3=CC=CC=C3C(=NC2=C1)N1CCNCC1

> <INCHI_IDENTIFIER>
InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2

> <INCHI_KEY>
JNNOSTQEZICQQP-UHFFFAOYSA-N

> <FORMULA>
C17H17ClN4

> <MOLECULAR_WEIGHT>
312.797

> <EXACT_MASS>
312.114174271

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
33.579925599963644

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-chloro-10-(piperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaene

> <ALOGPS_LOGP>
3.25

> <JCHEM_LOGP>
3.017193087

> <ALOGPS_LOGS>
-3.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.900137390894255

> <JCHEM_PKA_STRONGEST_BASIC>
8.825952885735783

> <JCHEM_POLAR_SURFACE_AREA>
39.660000000000004

> <JCHEM_REFRACTIVITY>
92.06179999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.03e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
NDMC

> <JCHEM_VEBER_RULE>
1

> <NAME>
Clozapine, Desmethyl

> <CAS>
6104-71-8

$$$$