Molecule

ID:56864

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀BrClO₂
Molecular Mass
325.585
Exact Mass
323.95526924
Charge
0
InChI
InChI=1S/C14H10BrClO2/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8H,9H2
InChIKey
XANJWXMRLUPZRF-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)COc1cccc(c1)C(=O)Cl
Isomeric Smiles
c1ccc(cc1OCc1cc(ccc1)Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.499713
LogD (pH = 7.4)
4.499713
Log P
4.499713
Molar Refractivity
75.8713
Polarizability
28.981508
Polar Surface Area
26.3
Rotatable Bonds
4
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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