Molecule

ID:89749

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(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
VOIZNVUXCQLQHS-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C(=O)O
Isomeric Smiles
OC(=O)c1cc(ccc1)Br
Calculated Properties
JChem
Acid pKa
3.9347615
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8273732
LogD (pH = 7.4)
-0.7957041
Log P
2.3995814
Molar Refractivity
40.937
Polarizability
15.597088
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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