Molecule

ID:77715

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrO
Molecular Mass
197.0287
Exact Mass
195.95237678
Charge
0
InChI
InChI=1S/C8H5BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
InChIKey
GPZPQJITKRSVQJ-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2c1occ2
Isomeric Smiles
o1c2c(cccc2cc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9011219
LogD (pH = 7.4)
2.9011219
Log P
2.9011219
Molar Refractivity
42.5219
Polarizability
17.433994
Polar Surface Area
13.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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