Mrv1652307312018382D          

 25 24  0  0  1  0            999 V2000
   11.2480   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9664   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5374   -5.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2519   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6770   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3914   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1059   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8204   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5349   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2493   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9638   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6783   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3927   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1072   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8217   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5362   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2506   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9651   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6796   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3940   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1085   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8230   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5374   -6.0177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.2519   -5.6052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24  3  1  1  0  0  0
 24  5  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  6  0  0  0
M  END
> <DATABASE_ID>
CDB000253

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@](C)(CC)CCCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C24H50/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(3)5-2/h24H,4-23H2,1-3H3/t24-/m0/s1

> <INCHI_KEY>
WCAGWYVPTZQWEN-DEOSSOPVSA-N

> <FORMULA>
C24H50

> <MOLECULAR_WEIGHT>
338.664

> <EXACT_MASS>
338.39125161

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
50.16877476303612

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S)-3-methyltricosane

> <ALOGPS_LOGP>
10.48

> <JCHEM_LOGP>
10.975824294

> <ALOGPS_LOGS>
-7.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
112.17379999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.33e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-3-methyltricosane

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB000253

> <GENERIC_NAME>
3-Methyl-tricosane

$$$$