Molecule

ID:70167

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClN
Molecular Mass
193.67268
Exact Mass
193.06582707
Charge
0
InChI
InChI=1S/C11H11N.ClH/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8,12H2;1H
InChIKey
CNWUJWGKBBBOKY-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)cccc2.Cl
Isomeric Smiles
c1c(ccc2ccccc12)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8941058
LogD (pH = 7.4)
0.08524335
Log P
2.088491
Molar Refractivity
50.9816
Polarizability
21.39968
Polar Surface Area
26.02
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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