Molecule

ID:87314

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrClO
Molecular Mass
207.45236
Exact Mass
205.91340443
Charge
0
InChI
InChI=1S/C6H4BrClO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
FQEYHIPPYOSPLF-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)Cl)Br
Isomeric Smiles
Oc1ccc(c(c1)Cl)Br
Calculated Properties
JChem
Acid pKa
8.373161
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0419002
LogD (pH = 7.4)
2.9988673
Log P
3.0424778
Molar Refractivity
40.4665
Polarizability
15.785555
Polar Surface Area
20.23
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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