Mrv1652306031609372D          

  3  2  0  0  0  0            999 V2000
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
M  END
> <DATABASE_ID>
DB06328

> <DATABASE_NAME>
drugbank

> <SMILES>
CON

> <INCHI_IDENTIFIER>
InChI=1S/CH5NO/c1-3-2/h2H2,1H3

> <INCHI_KEY>
GMPKIPWJBDOURN-UHFFFAOYSA-N

> <FORMULA>
CH5NO

> <MOLECULAR_WEIGHT>
47.057

> <EXACT_MASS>
47.037113785

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
4.70237852468688

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
O-methylhydroxylamine

> <ALOGPS_LOGP>
-0.76

> <JCHEM_LOGP>
-0.36253565700000007

> <ALOGPS_LOGS>
1.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.321035657011591

> <JCHEM_POLAR_SURFACE_AREA>
35.25

> <JCHEM_REFRACTIVITY>
12.331

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.00e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
O-methylhydroxylamine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB06328

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Methoxyamine

> <SALTS>
Methoxyamine hydrochloride

$$$$