Molecule

ID:81411

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀BrClO
Molecular Mass
309.5856
Exact Mass
307.96035462
Charge
0
InChI
InChI=1S/C14H10BrClO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
InChIKey
OBEFSOTWERFWSZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)C(c1ccccc1)Br
Isomeric Smiles
O=C(c1ccc(cc1)Cl)C(c1ccccc1)Br
Calculated Properties
JChem
Acid pKa
14.278708
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7942066
LogD (pH = 7.4)
4.7942066
Log P
4.7942066
Molar Refractivity
73.3602
Polarizability
28.18171
Polar Surface Area
17.07
Rotatable Bonds
3
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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