Molecule

ID:10544

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁BrO
Molecular Mass
263.12984
Exact Mass
261.99932697
Charge
0
InChI
InChI=1S/C13H11BrO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
HVWZMGZBJCJDOX-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)OCc1ccccc1
Isomeric Smiles
c1cc(cc(c1)Br)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3088
LogD (pH = 7.4)
4.3088
Log P
4.3088
Molar Refractivity
64.7566
Polarizability
25.123371
Polar Surface Area
9.23
Rotatable Bonds
3
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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