Molecule

ID:43000

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrCl₃
Molecular Mass
274.36966
Exact Mass
271.85619517
Charge
0
InChI
InChI=1S/C7H4BrCl3/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
InChIKey
IPFQCETYZRPQAM-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(Cl)cc(c1Cl)Cl
Isomeric Smiles
c1(c(c(cc(c1)Cl)Cl)Cl)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5581174
LogD (pH = 7.4)
4.5581174
Log P
4.5581174
Molar Refractivity
53.3228
Polarizability
20.779724
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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