Molecule

ID:89593

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁BrO
Molecular Mass
263.12984
Exact Mass
261.99932697
Charge
0
InChI
InChI=1S/C13H11BrO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
InChIKey
CMYZTJCWFRFRIW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2315526
LogD (pH = 7.4)
4.2315526
Log P
4.2315526
Molar Refractivity
65.2802
Polarizability
26.433983
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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