Molecule

ID:68468

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrO
Molecular Mass
197.0287
Exact Mass
195.95237678
Charge
0
InChI
InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKey
AYOVPQORFBWFNO-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)cco2
Isomeric Smiles
o1ccc2c1ccc(c2)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
17.424408
Polar Surface Area
13.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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