Mrv0541 02241214552D          

 12 11  0  0  0  0            999 V2000
   -3.9318   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2170    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9318    0.2059    0.0000 O   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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB013422

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCC\C=C\CO

> <INCHI_IDENTIFIER>
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+

> <INCHI_KEY>
SKBIQKQBLQHOSU-MDZDMXLPSA-N

> <FORMULA>
C11H22O

> <MOLECULAR_WEIGHT>
170.2918

> <EXACT_MASS>
170.167065326

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
22.99042854175582

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-undec-2-en-1-ol

> <ALOGPS_LOGP>
4.67

> <JCHEM_LOGP>
3.7112884043333336

> <ALOGPS_LOGS>
-4.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.081474081720287

> <JCHEM_PKA_STRONGEST_BASIC>
-2.325763236655546

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
55.304500000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.51e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-undec-2-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013422

> <GENERIC_NAME>
2-Undecen-1-ol

$$$$