Mrv1652303202019002D          

  3  3  0  0  0  0            999 V2000
   -0.3606    0.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3606   -0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB003358

> <DATABASE_NAME>
foodb

> <SMILES>
C1CO1

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O/c1-2-3-1/h1-2H2

> <INCHI_KEY>
IAYPIBMASNFSPL-UHFFFAOYSA-N

> <FORMULA>
C2H4O

> <MOLECULAR_WEIGHT>
44.0526

> <EXACT_MASS>
44.02621475

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
4.419761141449756

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxirane

> <ALOGPS_LOGP>
-0.47

> <JCHEM_LOGP>
-0.04697550833333336

> <ALOGPS_LOGS>
0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.154792712283973

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
11.043500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.94e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethylene oxide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003358

> <GENERIC_NAME>
Oxirane

$$$$