Molecule

ID:75365

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrO₂
Molecular Mass
215.04398
Exact Mass
213.96294146
Charge
0
InChI
InChI=1S/C8H7BrO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5H2
InChIKey
IEPSGFQQGKPTPM-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1cccc(c1)O
Isomeric Smiles
O=C(c1cccc(c1)O)CBr
Calculated Properties
JChem
Acid pKa
8.891029
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9499917
LogD (pH = 7.4)
1.9364581
Log P
1.9501671
Molar Refractivity
46.1784
Polarizability
17.464453
Polar Surface Area
37.3
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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