Mrv1533004261502232D          

  7  6  0  0  0  0            999 V2000
    0.1105   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 O   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
    0.8250    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015962

> <DATABASE_NAME>
chemdb

> <SMILES>
NC(=O)C(Br)(Br)Br

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Br3NO/c3-2(4,5)1(6)7/h(H2,6,7)

> <INCHI_KEY>
ORCCSQMJUGMAQU-UHFFFAOYSA-N

> <FORMULA>
C2H2Br3NO

> <MOLECULAR_WEIGHT>
295.756

> <EXACT_MASS>
292.768653

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
14.929066222176

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tribromoacetamide

> <ALOGPS_LOGP>
1.24

> <JCHEM_LOGP>
1.1732185973333331

> <ALOGPS_LOGS>
-2.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.219213768408952

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
38.406

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.41e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acetamide, 2,2,2-tribromo-

> <JCHEM_VEBER_RULE>
0

> <NAME>
Tribromoacetamide

$$$$