Molecule

ID:7901

General Information
Structure
Molecular Formula
C₆H₅BrO
Molecular Mass
173.0073
Exact Mass
171.95237678
Charge
0
InChI
InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
MNOJRWOWILAHAV-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)Br
Isomeric Smiles
c1ccc(cc1O)Br
Calculated Properties
JChem
Acid pKa
8.877695
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4382522
LogD (pH = 7.4)
2.4242995
Log P
2.4384332
Molar Refractivity
35.6617
Polarizability
13.781391
Polar Surface Area
20.23
Rotatable Bonds
0
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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