Molecule

ID:55239

General Information
Structure
Molecular Formula
C₁₂H₁₅ClN₂
Molecular Mass
222.7139
Exact Mass
222.09237617
Charge
0
InChI
InChI=1S/C12H14N2.ClH/c13-9-11-3-5-12(6-4-11)10-14-7-1-2-8-14;/h3-6H,1-2,7-8,10H2;1H
InChIKey
FMWKVTSUELIPSO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)CN1CCCC1.Cl
Isomeric Smiles
N#Cc1ccc(CN2CCCC2)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.966633
LogD (pH = 7.4)
0.6736968
Log P
2.1765363
Molar Refractivity
57.8633
Polarizability
22.184399
Polar Surface Area
27.03
Rotatable Bonds
2
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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