Molecule

ID:61946

General Information
Structure
MolImage
Molecular Formula
C₉H₉Br
Molecular Mass
197.07176
Exact Mass
195.98876229
Charge
0
InChI
InChI=1S/C9H9Br/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKey
BCBNVQYWODLZSI-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C1CC1
Isomeric Smiles
c1(cc(ccc1)C1CC1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5232816
LogD (pH = 7.4)
3.5232816
Log P
3.5232816
Molar Refractivity
46.0694
Polarizability
17.769487
Polar Surface Area
0.0
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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