Mrv1572004221603352D          

  7  6  0  0  0  0            999 V2000
    0.8250   -0.8250    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
    0.1105   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 Br  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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017169

> <DATABASE_NAME>
chemdb

> <SMILES>
BrC(Br)C(Br)(Br)Br

> <INCHI_IDENTIFIER>
InChI=1S/C2HBr5/c3-1(4)2(5,6)7/h1H

> <INCHI_KEY>
OGVPXEPSTZMAFF-UHFFFAOYSA-N

> <FORMULA>
C2HBr5

> <MOLECULAR_WEIGHT>
424.55

> <EXACT_MASS>
419.599515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
19.685002498268542

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,1,2,2-pentabromoethane

> <ALOGPS_LOGP>
4.15

> <JCHEM_LOGP>
2.764714427333333

> <ALOGPS_LOGS>
-4.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
50.379599999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.47e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pentabromoethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Pentabromoethane

> <CAS>
75-95-6

$$$$