Mrv1652303202019022D          

 36 35  0  0  0  0            999 V2000
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   33.4775    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   32.7631    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0486    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3341    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3289    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6197    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9052    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.1907    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.4762    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.9026    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6171    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3315    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
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M  END
> <DATABASE_ID>
CDB000106

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3

> <INCHI_KEY>
YDLYQMBWCWFRAI-UHFFFAOYSA-N

> <FORMULA>
C36H74

> <MOLECULAR_WEIGHT>
506.9728

> <EXACT_MASS>
506.579052368

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
110

> <JCHEM_AVERAGE_POLARIZABILITY>
76.3025740892015

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexatriacontane

> <ALOGPS_LOGP>
11.22

> <JCHEM_LOGP>
16.46819784266667

> <ALOGPS_LOGS>
-8.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
167.4382

> <JCHEM_ROTATABLE_BOND_COUNT>
33

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.78e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexatriacontane

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB000106

> <GENERIC_NAME>
Hexatriacontane

$$$$