Mrv0541 10021418002D          

  2  1  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0142

> <DATABASE_NAME>
t3db

> <SMILES>
BrBr

> <INCHI_IDENTIFIER>
InChI=1S/Br2/c1-2

> <INCHI_KEY>
GDTBXPJZTBHREO-UHFFFAOYSA-N

> <FORMULA>
Br2

> <MOLECULAR_WEIGHT>
159.808

> <EXACT_MASS>
157.836675294

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
6.638796030574175

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dibromane

> <JCHEM_LOGP>
1.3836957819999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
17.4704

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
Brom

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0142

> <NAME>
Bromine

> <CAS>
7726-95-6

> <SYNONYMS>
Br2; Brom; Bromine gas; Bromine liquid; Dibromine

> <TYPES>
Inorganic Compound; Pesticide; Non-Metal; Halogen; Food Toxin; Metabolite; Lachrymator; Natural Compound

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