Molecule

ID:66721

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrO₂
Molecular Mass
201.0174
Exact Mass
199.9472914
Charge
0
InChI
InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H
InChIKey
STBGLXMINLWCNL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1O)Br
Isomeric Smiles
C(=O)c1c(c(ccc1)Br)O
Calculated Properties
JChem
Acid pKa
7.064292
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7893472
LogD (pH = 7.4)
2.3080227
Log P
2.8009355
Molar Refractivity
42.2457
Polarizability
15.759549
Polar Surface Area
37.3
Rotatable Bonds
1
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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