Molecule

ID:51297

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClN
Molecular Mass
221.72584
Exact Mass
221.0971272
Charge
0
InChI
InChI=1S/C13H15N.ClH/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;/h1-6,14H,7-10H2;1H
InChIKey
CNFMPMUITJAJKC-UHFFFAOYSA-N
Canonic Smiles
N1CCC2(CC1)C=Cc1c2cccc1.Cl
Isomeric Smiles
C1=Cc2c(C31CCNCC3)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0719048
LogD (pH = 7.4)
-0.3958693
Log P
2.1488316
Molar Refractivity
60.3097
Polarizability
23.185919
Polar Surface Area
12.03
Rotatable Bonds
0
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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