Mrv1652306031606032D          

  5  4  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
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012525

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)NO

> <INCHI_IDENTIFIER>
InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3

> <INCHI_KEY>
ODHYIQOBTIWVRZ-UHFFFAOYSA-N

> <FORMULA>
C3H9NO

> <MOLECULAR_WEIGHT>
75.111

> <EXACT_MASS>
75.068413914

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
8.506510157093377

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(propan-2-yl)hydroxylamine

> <ALOGPS_LOGP>
-0.26

> <JCHEM_LOGP>
0.2565626653333335

> <ALOGPS_LOGS>
0.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.646565796175583

> <JCHEM_PKA_STRONGEST_BASIC>
5.083231714533379

> <JCHEM_POLAR_SURFACE_AREA>
32.26

> <JCHEM_REFRACTIVITY>
31.343600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.44e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-isopropylhydroxylamine

> <JCHEM_VEBER_RULE>
1

> <NAME>
N-isopropylhydroxylamine

> <CAS>
5080-22-8

> <SYNONYMS>
N-(propan-2-yl)hydroxylamine

$$$$