Mrv1652304272019312D          

 23 28  0  0  0  0            999 V2000
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    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6500    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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  4 17  2  0  0  0  0
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M  END
> <DATABASE_ID>
CDB006115

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CC=C2C=CC=C3C4=CC=C5C=CC6=C5C4=C(C=C6)C1=C23

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

> <INCHI_KEY>
NIFSFGFNCRVVNE-UHFFFAOYSA-N

> <FORMULA>
C23H14

> <MOLECULAR_WEIGHT>
290.365

> <EXACT_MASS>
290.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
33.8712090180126

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-methylhexacyclo[12.5.2.1^{2,6}.0^{11,20}.0^{17,21}.0^{10,22}]docosa-1(20),2(22),3,5,7,9,11,13,15,17(21),18-undecaene

> <ALOGPS_LOGP>
6.66

> <JCHEM_LOGP>
6.1534208459999995

> <ALOGPS_LOGS>
-8.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
97.61079999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.74e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-methylhexacyclo[12.5.2.1^{2,6}.0^{11,20}.0^{17,21}.0^{10,22}]docosa-1(20),2(22),3,5,7,9,11,13,15,17(21),18-undecaene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006115

> <GENERIC_NAME>
methyl-aceperylene

$$$$