Molecule

ID:79321

General Information
Structure
Molecular Formula
C₉H₁₂ClN
Molecular Mass
169.65128
Exact Mass
169.06582707
Charge
0
InChI
InChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
InChIKey
MGFREDWKELGWML-UHFFFAOYSA-N
Canonic Smiles
N1CCc2c(C1)cccc2.Cl
Isomeric Smiles
N1Cc2ccccc2CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5762122
LogD (pH = 7.4)
-0.36817753
Log P
1.5714831
Molar Refractivity
42.6156
Polarizability
16.61349
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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