Mrv0541 02241215452D          

 16 15  0  0  0  0            999 V2000
   -5.3920    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9630    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5341    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3907    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0383    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775    3.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    3.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0383    3.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    0.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  3  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  2  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  2  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014760

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C/CO

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-

> <INCHI_KEY>
CRDAMVZIKSXKFV-PVMFERMNSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
28.878152081633225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

> <ALOGPS_LOGP>
4.84

> <JCHEM_LOGP>
4.1620975709999986

> <ALOGPS_LOGS>
-3.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.33002421872553

> <JCHEM_PKA_STRONGEST_BASIC>
-2.2170474067294528

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
74.98469999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.87e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(Z,E)-farnesol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014760

> <GENERIC_NAME>
(2Z,6E)-Farnesol

$$$$