Molecule

ID:76505

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉BrO
Molecular Mass
249.10326
Exact Mass
247.98367691
Charge
0
InChI
InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
InChIKey
AHDAKFFMKLQPTD-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)Oc1ccccc1
Isomeric Smiles
O(c1cccc(c1)Br)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2422857
LogD (pH = 7.4)
4.2422857
Log P
4.2422857
Molar Refractivity
59.9216
Polarizability
23.351355
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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