Mrv1652303192001423D          

 11 10  0  0  0  0            999 V2000
   -4.4254    0.3821    1.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3814    1.5515   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380   -1.6313    0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2387    1.1907    0.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2062    0.7779    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949    0.5299   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892   -0.7984    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0472   -1.5109   -0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800    0.3447   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804   -0.7439   -1.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1057   -0.4331   -0.1689 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000538

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCC[C@@H](C)CCC

> <INCHI_IDENTIFIER>
InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3/t11-/m0/s1

> <INCHI_KEY>
DVWZNKLWPILULD-NSHDSACASA-N

> <FORMULA>
C11H24

> <MOLECULAR_WEIGHT>
156.313

> <EXACT_MASS>
156.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
22.305349862110962

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S)-4-methyldecane

> <ALOGPS_LOGP>
6.15

> <JCHEM_LOGP>
5.196431649000001

> <ALOGPS_LOGS>
-5.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
52.3608

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.58e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S)-4-methyldecane

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000538

> <GENERIC_NAME>
4-Methyldecane

$$$$