Mrv1652306031606472D          

  9  8  0  0  0  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    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
    2.4750    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  4  0  0  0
M  END
> <DATABASE_ID>
CHEM043273

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)(CCl)C(O)=NO

> <INCHI_IDENTIFIER>
InChI=1S/C5H10ClNO2/c1-5(2,3-6)4(8)7-9/h9H,3H2,1-2H3,(H,7,8)

> <INCHI_KEY>
LOBXXWMXAMOBAH-UHFFFAOYSA-N

> <FORMULA>
C5H10ClNO2

> <MOLECULAR_WEIGHT>
151.59

> <EXACT_MASS>
151.0400063

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
14.335438037695866

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-hydroxy3-chloro-2,2-dimethylpropanimidic acid

> <ALOGPS_LOGP>
1.03

> <JCHEM_LOGP>
1.6594911983333334

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.369960179365062

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.2408980015818205

> <JCHEM_PKA_STRONGEST_BASIC>
0.09009159449992665

> <JCHEM_POLAR_SURFACE_AREA>
52.82000000000001

> <JCHEM_REFRACTIVITY>
35.2803

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-hydroxy3-chloro-2,2-dimethylpropanimidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
3-chloro-N-hydroxy-2,2-dimethylpropanamide

> <CAS>
81778-06-5

$$$$