Molecule

ID:24161

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H16N2.ClH/c1-8-4-3-5-11-10(6-9(2)13)7-14-12(8)11;/h3-5,7,9,14H,6,13H2,1-2H3;1H
InChIKey
FARJOCRTMXQTQI-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1c[nH]c2c1cccc2C)N.Cl
Isomeric Smiles
c12c([nH]cc1CC(C)N)c(ccc2)C.Cl
Calculated Properties
JChem
Acid pKa
17.458817
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.6013632
LogD (pH = 7.4)
-0.031826526
Log P
2.4164338
Molar Refractivity
59.8329
Polarizability
24.382153
Polar Surface Area
41.81
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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