Mrv1652306031605562D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 O   0  0  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  RAD  1   2   2
M  END
> <DATABASE_ID>
CHEM042539

> <DATABASE_NAME>
chemdb

> <SMILES>
C[CH]O

> <INCHI_IDENTIFIER>
InChI=1S/C2H5O/c1-2-3/h2-3H,1H3

> <INCHI_KEY>
GAWIXWVDTYZWAW-UHFFFAOYSA-N

> <FORMULA>
C2H5O

> <MOLECULAR_WEIGHT>
45.061

> <EXACT_MASS>
45.034039781

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
5.012243675397395

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-hydroxyethyl

> <ALOGPS_LOGP>
-0.40

> <JCHEM_LOGP>
0.2864475636666667

> <ALOGPS_LOGS>
1.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.73092674494215

> <JCHEM_PKA_STRONGEST_BASIC>
-2.041692641762304

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
13.1172

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.79e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-hydroxyethyl group

> <JCHEM_VEBER_RULE>
1

> <NAME>
ethyl, 1-hydroxy-

> <CAS>
2348-46-1

$$$$