Mrv1652304272019312D          

 23 28  0  0  0  0            999 V2000
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  2  8  1  0  0  0  0
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 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB006116

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C2C3=C(C4=CC=CC5=CC=CC3=C45)C3=CC=CC(C=C1)=C23

> <INCHI_IDENTIFIER>
InChI=1S/C23H14/c1-13-11-12-15-7-4-10-18-21(15)19(13)23-17-9-3-6-14-5-2-8-16(20(14)17)22(18)23/h2-12H,1H3

> <INCHI_KEY>
CEZANYZHMBVQOD-UHFFFAOYSA-N

> <FORMULA>
C23H14

> <MOLECULAR_WEIGHT>
290.365

> <EXACT_MASS>
290.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
34.36937417443022

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-methylhexacyclo[11.7.1.1^{3,7}.0^{2,12}.0^{17,21}.0^{11,22}]docosa-1(21),2(12),3,5,7(22),8,10,13,15,17,19-undecaene

> <ALOGPS_LOGP>
5.81

> <JCHEM_LOGP>
5.725367277333333

> <ALOGPS_LOGS>
-6.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
114.44379999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.83e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methylhexacyclo[11.7.1.1^{3,7}.0^{2,12}.0^{17,21}.0^{11,22}]docosa-1(21),2(12),3,5,7(22),8,10,13,15,17,19-undecaene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006116

> <GENERIC_NAME>
Methyl-acenaphth[1,2-a]acenaphthylene

$$$$