Molecule

ID:70892

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrO₂
Molecular Mass
201.0174
Exact Mass
199.9472914
Charge
0
InChI
InChI=1S/C7H5BrO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2
InChIKey
VZPMQHSDFWAZHP-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2c1OCO2
Isomeric Smiles
O1COc2c1cccc2Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.365232
LogD (pH = 7.4)
2.365232
Log P
2.365232
Molar Refractivity
39.4477
Polarizability
15.727809
Polar Surface Area
18.46
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
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References
Bioactivity
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