Mrv0541 02241204362D          

  6  5  0  0  0  0            999 V2000
    1.4924    0.4849    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -0.7846    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -0.4849    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.7846    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
  2  6  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1744

> <DATABASE_NAME>
t3db

> <SMILES>
BrP(Br)(Br)(Br)Br

> <INCHI_IDENTIFIER>
InChI=1S/Br5P/c1-6(2,3,4)5

> <INCHI_KEY>
QRKVRHZNLKTPGF-UHFFFAOYSA-N

> <FORMULA>
Br5P

> <MOLECULAR_WEIGHT>
430.494

> <EXACT_MASS>
425.565449747

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
19.322400812328638

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentabromo-λ⁵-phosphane

> <JCHEM_LOGP>
4.9755

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
48.876

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
phosphorus pentabromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1744

> <NAME>
Phosphorus pentabromide

> <CAS>
7789-69-7

> <SYNONYMS>
Pentabromophosphorane; Pentabromophosphorus; Phosphoric bromide; Phosphorous pentabromide

> <TYPES>
Inorganic Compound; Non-Metal; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound

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