Mrv1572004201614322D          

  7  6  0  0  0  0            999 V2000
    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
    1.6500    1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015961

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(=N)C(Cl)(Br)Br

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Br2ClNO/c3-2(4,5)1(6)7/h(H2,6,7)

> <INCHI_KEY>
MBEDDIHHCDUVJV-UHFFFAOYSA-N

> <FORMULA>
C2H2Br2ClNO

> <MOLECULAR_WEIGHT>
251.3

> <EXACT_MASS>
248.819167

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
14.021696795984036

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2-dibromo-2-chloroethanimidic acid

> <ALOGPS_LOGP>
1.22

> <JCHEM_LOGP>
-0.8024764930424262

> <ALOGPS_LOGS>
-2.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
-6.542228151111879

> <JCHEM_PKA_STRONGEST_BASIC>
10.490234181620751

> <JCHEM_POLAR_SURFACE_AREA>
44.08

> <JCHEM_REFRACTIVITY>
46.5341

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.30e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2-dibromo-2-chloroethanimidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Dibromochloroacetamide

$$$$