Molecule

ID:76435

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Br
Molecular Mass
199.08764
Exact Mass
198.00441235
Charge
0
InChI
InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChIKey
NUPWGLKBGVNSJX-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)CCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.144557
LogD (pH = 7.4)
4.144557
Log P
4.144557
Molar Refractivity
47.924
Polarizability
18.478985
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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