Mrv2104 01012300132D          

  3  2  0  0  0  0            999 V2000
   -2.7993    1.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3859    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1151   -0.1499    0.0000 C   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
M  END
> <DATABASE_ID>
PHUB002085

> <DATABASE_NAME>
phytohub

> <SMILES>
CCC

> <INCHI_IDENTIFIER>
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3

> <INCHI_KEY>
ATUOYWHBWRKTHZ-UHFFFAOYSA-N

> <FORMULA>
C3H8

> <MOLECULAR_WEIGHT>
44.097

> <EXACT_MASS>
44.062600258

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.342146753974816

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
propane

> <JCHEM_LOGP>
1.7974318976666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
15.605200000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
propane

> <JCHEM_VEBER_RULE>
1

$$$$