Mrv1652307232022252D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB003663

> <DATABASE_NAME>
foodb

> <SMILES>
CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3

> <INCHI_KEY>
QQONPFPTGQHPMA-UHFFFAOYSA-N

> <FORMULA>
C3H6

> <MOLECULAR_WEIGHT>
42.0797

> <EXACT_MASS>
42.046950192

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
5.538692685364799

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
prop-1-ene

> <ALOGPS_LOGP>
1.68

> <JCHEM_LOGP>
1.493443911333333

> <ALOGPS_LOGS>
-1.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
15.6493

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.35e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
propylene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003663

> <GENERIC_NAME>
Propene

$$$$