Molecule

ID:70387

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Br
Molecular Mass
199.08764
Exact Mass
198.00441235
Charge
0
InChI
InChI=1S/C9H11Br/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6H2,1-2H3
InChIKey
PSRARXVEBZQEML-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(C)cccc1C
Isomeric Smiles
c1(c(c(ccc1)C)CBr)C
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
18.311852
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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