82556
  Mrv1652304062013012D          

 31 30  0  0  0  0            999 V2000
    2.0928   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0938    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3793   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8082   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5226    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9504   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2371   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7650    0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4225    0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506   -0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081   -0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4794   -0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1370   -0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9938    0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3361    0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8514    0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1939    0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9504   -0.7177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9813   -0.6491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799   -0.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    0.2367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361    0.7177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8504   -0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929   -0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360    0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    0.0495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  3  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0096099

> <DATABASE_NAME>
bmdb

> <SMILES>
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h7-8,11H,2-6,9-10H2,1H3

> <INCHI_KEY>
MTIJDFJGPCJFKE-UHFFFAOYSA-N

> <FORMULA>
C10H20O

> <MOLECULAR_WEIGHT>
156.2652

> <EXACT_MASS>
156.151415262

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
20.723242684960688

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dec-3-en-1-ol

> <ALOGPS_LOGP>
4.11

> <JCHEM_LOGP>
3.110812279333333

> <ALOGPS_LOGS>
-3.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.791790765506846

> <JCHEM_PKA_STRONGEST_BASIC>
-2.015070719167305

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
50.8575

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.59e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dec-3-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0096099

> <GENERIC_NAME>
(E)-3-decen-1-ol

$$$$