Molecule

ID:10654

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁BrO
Molecular Mass
275.14054
Exact Mass
273.99932697
Charge
0
InChI
InChI=1S/C14H11BrO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,10H2
InChIKey
SZJQXQICJDHRJE-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)c1cccc(c1)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.205336
LogD (pH = 7.4)
4.205336
Log P
4.205336
Molar Refractivity
69.4839
Polarizability
26.400024
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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