Mrv0541 02241204372D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 Br  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  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1762

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/CBr4/c2-1(3,4)5

> <INCHI_KEY>
HJUGFYREWKUQJT-UHFFFAOYSA-N

> <FORMULA>
CBr4

> <MOLECULAR_WEIGHT>
331.627

> <EXACT_MASS>
327.673350588

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
14.820934182789282

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrabromomethane

> <ALOGPS_LOGP>
3.30

> <JCHEM_LOGP>
3.5968134309999997

> <ALOGPS_LOGS>
-2.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
2.3038

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.38e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbon tetrabromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1762

> <NAME>
Tetrabromomethane

> <CAS>
558-13-4

> <SYNONYMS>
Bromid uhlicity; Carbon bromide; Carbon bromide (CBr4); Carbon tetrabromide; CBr4; Kohlenstofftetrabromid; Methane tetrabromide; Methane, tetrabromide; Tetrabromidocarbon; Tetrabromkohlenstoff; Tetrabrommethan; WLN: exeee

> <TYPES>
Inorganic Compound; Organic Compound; Organobromide; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound

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