Molecule

ID:116502

General Information
Structure
MolImage
Molecular Formula
C₉H₇BrO
Molecular Mass
211.05528
Exact Mass
209.96802684
Charge
0
InChI
InChI=1S/C9H7BrO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChIKey
ARJOJUQBOMFBDN-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc2c(o1)cccc2
Isomeric Smiles
o1c(cc2c1cccc2)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8251076
LogD (pH = 7.4)
2.8251076
Log P
2.8251076
Molar Refractivity
47.627
Polarizability
19.15535
Polar Surface Area
13.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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