Molecule

ID:89283

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀BrClO
Molecular Mass
321.5963
Exact Mass
319.96035462
Charge
0
InChI
InChI=1S/C15H10BrClO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H
InChIKey
ZSTZCXBJHPAPIQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)Br
Isomeric Smiles
O=C(c1ccc(cc1)Cl)/C=C/c1ccc(cc1)Br
Calculated Properties
JChem
Acid pKa
16.827412
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2631226
LogD (pH = 7.4)
5.2631226
Log P
5.2631226
Molar Refractivity
79.3046
Polarizability
29.917177
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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