Molecule

ID:70463

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Br
Molecular Mass
199.08764
Exact Mass
198.00441235
Charge
0
InChI
InChI=1S/C9H11Br/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3
InChIKey
QXDHXCVJGBTQMK-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(C)cc(c1)C
Isomeric Smiles
c1(cc(cc(c1)C)C)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.772826
LogD (pH = 7.4)
3.772826
Log P
3.772826
Molar Refractivity
48.9908
Polarizability
18.311472
Polar Surface Area
0.0
Rotatable Bonds
1
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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