Mrv1572004191602542D          

  4  2  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
M  CHG  2   3  -1   4   1
M  END
> <DATABASE_ID>
CHEM010154

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].CC[O-]

> <INCHI_IDENTIFIER>
InChI=1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1

> <INCHI_KEY>
QDRKDTQENPPHOJ-UHFFFAOYSA-N

> <FORMULA>
C2H5NaO

> <MOLECULAR_WEIGHT>
68.051

> <EXACT_MASS>
68.02380906

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
4.937337140626047

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium ethanolate

> <ALOGPS_LOGP>
0.13

> <JCHEM_LOGP>
-0.1617691140000001

> <ALOGPS_LOGS>
0.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.47061524791562

> <JCHEM_PKA_STRONGEST_BASIC>
-2.155552890561707

> <JCHEM_POLAR_SURFACE_AREA>
23.06

> <JCHEM_REFRACTIVITY>
23.560200000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.78e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium ethoxide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Sodium ethoxide

> <CAS>
141-52-6

$$$$