Mrv2104 12152306062D          

  2  1  0  0  0  0            999 V2000
   -5.3121    1.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5275    1.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB002086

> <DATABASE_NAME>
phytohub

> <SMILES>
CC

> <INCHI_IDENTIFIER>
InChI=1S/C2H6/c1-2/h1-2H3

> <INCHI_KEY>
OTMSDBZUPAUEDD-UHFFFAOYSA-N

> <FORMULA>
C2H6

> <MOLECULAR_WEIGHT>
30.07

> <EXACT_MASS>
30.046950193

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.464031019314363

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethane

> <JCHEM_LOGP>
1.3528632326666667

> <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>
11.0042

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
ethane

> <JCHEM_VEBER_RULE>
1

$$$$