Molecule

ID:8719

General Information
Structure
Molecular Formula
C₆H₃Br₂Cl
Molecular Mass
270.34902
Exact Mass
267.82900178
Charge
0
InChI
InChI=1S/C6H3Br2Cl/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
LOWQAATYMJIWOG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Cl)Br
Isomeric Smiles
c1(ccc(c(c1)Cl)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1147957
LogD (pH = 7.4)
4.1147957
Log P
4.1147957
Molar Refractivity
46.1084
Polarizability
18.197952
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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