Molecule

ID:110375

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Br
Molecular Mass
199.08764
Exact Mass
198.00441235
Charge
0
InChI
InChI=1S/C9H11Br/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
NVYOCAOZCSNIHR-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccc1)Br
Isomeric Smiles
CC(Br)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4512193
LogD (pH = 7.4)
3.4512193
Log P
3.4512193
Molar Refractivity
48.0822
Polarizability
18.386112
Polar Surface Area
0.0
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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