Mrv1652306032000052D
2 1 0 0 0 0 999 V2000
0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 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>
MMDBc0057281
> <DATABASE_NAME>
MIME
> <SMILES>
CC
> <INCHI_IDENTIFIER>
InChI=1S/C2H6/c1-2/h1-2H3
> <INCHI_KEY>
OTMSDBZUPAUEDD-UHFFFAOYSA-N
> <FORMULA>
C2H6
> <MOLECULAR_WEIGHT>
30.069
> <EXACT_MASS>
30.046950192
> <JCHEM_ACCEPTOR_COUNT>
0
> <JCHEM_ATOM_COUNT>
8
> <JCHEM_AVERAGE_POLARIZABILITY>
4.464031019314363
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
0
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
ethane
> <ALOGPS_LOGP>
1.44
> <JCHEM_LOGP>
1.3528632326666667
> <ALOGPS_LOGS>
0.38
> <JCHEM_MDDR_LIKE_RULE>
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
> <ALOGPS_SOLUBILITY>
7.26e+01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
ethane
> <JCHEM_VEBER_RULE>
1
$$$$
