Molecule

ID:73751

General Information
Structure
Molecular Formula
C₉H₉Br
Molecular Mass
197.07176
Exact Mass
195.98876229
Charge
0
InChI
InChI=1S/C9H9Br/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7H,1,3H2
InChIKey
LIGHOIDTGDLAKK-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)CC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8405693
LogD (pH = 7.4)
3.8405693
Log P
3.8405693
Molar Refractivity
47.9681
Polarizability
18.301054
Polar Surface Area
0.0
Rotatable Bonds
2
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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