Molecule

ID:79121

General Information
Structure
MolImage
Molecular Formula
C₉H₇BrO
Molecular Mass
211.05528
Exact Mass
209.96802684
Charge
0
InChI
InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H
InChIKey
WQRWNOKNRHCLHV-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C/c1ccccc1)/Br
Isomeric Smiles
O=C/C(=C/c1ccccc1)/Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5311303
LogD (pH = 7.4)
2.5311303
Log P
2.5311303
Molar Refractivity
49.7438
Polarizability
18.43727
Polar Surface Area
17.07
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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