Molecule

ID:74475

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Br
Molecular Mass
199.08764
Exact Mass
198.00441235
Charge
0
InChI
InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
XMZQWZJMTBCUFT-UHFFFAOYSA-N
Canonic Smiles
BrCCCc1ccccc1
Isomeric Smiles
BrCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.479213
LogD (pH = 7.4)
3.479213
Log P
3.479213
Molar Refractivity
48.2644
Polarizability
18.385004
Polar Surface Area
0.0
Rotatable Bonds
3
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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