Molecule

ID:75973

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁BrO
Molecular Mass
263.12984
Exact Mass
261.99932697
Charge
0
InChI
InChI=1S/C13H11BrO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2
InChIKey
UJUNUASMYSTBSK-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)Oc1ccccc1
Isomeric Smiles
O(c1cccc(c1)CBr)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.24627
LogD (pH = 7.4)
4.24627
Log P
4.24627
Molar Refractivity
65.1492
Polarizability
25.084688
Polar Surface Area
9.23
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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