Molecule

ID:78573

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁BrO
Molecular Mass
263.12984
Exact Mass
261.99932697
Charge
0
InChI
InChI=1S/C13H11BrO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9H,10H2
InChIKey
MUVRARONQUQSLM-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1COc1ccccc1
Isomeric Smiles
Brc1ccccc1COc1ccccc1
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
25.123962
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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