Mrv1652303202019012D          

 11 10  0  0  0  0            999 V2000
    1.4434   -1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009   -1.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    1.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000148

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3

> <INCHI_KEY>
RSJKGSCJYJTIGS-UHFFFAOYSA-N

> <FORMULA>
C11H24

> <MOLECULAR_WEIGHT>
156.3083

> <EXACT_MASS>
156.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
22.71259372969989

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
undecane

> <ALOGPS_LOGP>
5.96

> <JCHEM_LOGP>
5.353981217666668

> <ALOGPS_LOGS>
-5.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
52.413199999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.47e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
undecane

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000148

> <GENERIC_NAME>
Undecane

$$$$