Molecule

ID:55582

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H18N2.ClH/c1-9(2)14-8-12-10(3)15-13-7-5-4-6-11(12)13;/h4-7,9,14-15H,8H2,1-3H3;1H
InChIKey
QQNPRZMPONRPPH-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1c(C)[nH]c2c1cccc2)C.Cl
Isomeric Smiles
c1(c([nH]c2c1cccc2)C)CNC(C)C.Cl
Calculated Properties
JChem
Acid pKa
16.186167
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.6178517
LogD (pH = 7.4)
0.051608372
Log P
2.603301
Molar Refractivity
64.7096
Polarizability
26.307852
Polar Surface Area
27.82
Rotatable Bonds
3
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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