Molecule

ID:24109

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H16N2.ClH/c1-8-3-4-12-11(7-8)10(5-6-13)9(2)14-12;/h3-4,7,14H,5-6,13H2,1-2H3;1H
InChIKey
GVJJKUCNWFNCHY-UHFFFAOYSA-N
Canonic Smiles
Cc1c(CCN)c2c([nH]1)ccc(c2)C.Cl
Isomeric Smiles
c12c([nH]c(c1CCN)C)ccc(c2)C.Cl
Calculated Properties
JChem
Acid pKa
17.514763
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.8088155
LogD (pH = 7.4)
-0.08059354
Log P
2.1994202
Molar Refractivity
60.5638
Polarizability
24.295403
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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