Molecule

ID:63473

General Information
Structure
MolImage
Molecular Formula
C₉H₇BrO
Molecular Mass
211.05528
Exact Mass
209.96802684
Charge
0
InChI
InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey
UVVYFYLSZIMKMC-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c1cccc2Br
Isomeric Smiles
c12c(C(=O)CC1)cccc2Br
Calculated Properties
JChem
Acid pKa
15.762439
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6053085
LogD (pH = 7.4)
2.6053085
Log P
2.6053085
Molar Refractivity
47.3485
Polarizability
17.973402
Polar Surface Area
17.07
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
References
Bioactivity
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