Mrv1652303202019002D          

 11 10  0  0  0  0            999 V2000
    8.5438  -15.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8271  -15.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2749  -15.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9845  -15.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2777  -15.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5538  -15.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1274  -15.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8442  -15.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6940  -15.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4179  -15.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9944  -15.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  9  4  1  0  0  0  0
  6  5  1  0  0  0  0
 11  5  1  0  0  0  0
  8  6  1  0  0  0  0
 10  7  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB012768

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCCCC=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

> <INCHI_KEY>
KSMVZQYAVGTKIV-UHFFFAOYSA-N

> <FORMULA>
C10H20O

> <MOLECULAR_WEIGHT>
156.2652

> <EXACT_MASS>
156.151415262

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
20.660760737103878

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
decanal

> <ALOGPS_LOGP>
4.44

> <JCHEM_LOGP>
3.4305545353333335

> <ALOGPS_LOGS>
-4.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.785514020424962

> <JCHEM_PKA_STRONGEST_BASIC>
-6.944305999531455

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
48.55219999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.72e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
decanal

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB012768

> <GENERIC_NAME>
Decanal

$$$$