Mrv0541 08291401542D          

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M  END
> <DATABASE_ID>
CHEM003182

> <DATABASE_NAME>
chemdb

> <SMILES>
C1=CC=C2C(=C1)C=C1C=CC3=C4C(C=CC2=C14)=CC1=CC=CC=C31

> <INCHI_IDENTIFIER>
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H

> <INCHI_KEY>
RXUSYFJGDZFVND-UHFFFAOYSA-N

> <FORMULA>
C24H14

> <MOLECULAR_WEIGHT>
302.368

> <EXACT_MASS>
302.109550448

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
35.52211733477115

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexacyclo[10.10.2.0²,⁷.0⁹,²³.0¹³,¹⁸.0²⁰,²⁴]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

> <ALOGPS_LOGP>
7.49

> <JCHEM_LOGP>
6.2628809940000005

> <ALOGPS_LOGS>
-8.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
99.62299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.53e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dibenzo[a,h]pyrene

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4222

> <NAME>
Dibenzo(a,h)pyrene

> <CAS>
189-64-0

> <SYNONYMS>
3,4:8,9-Dibenzopyrene; Dibenzo (a,h) pyrene; Dibenzo(a,H)pyrene; Dibenzo[<i>a</i>,<i>h</i>]pyrene

> <TYPES>
Organic Compound; Polycyclic Aromatic Hydrocarbon; Pollutant; Cigarette Toxin; Natural Compound

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