Molecule

ID:55559

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂
Molecular Mass
196.67662
Exact Mass
196.07672611
Charge
0
InChI
InChI=1S/C10H12N2.ClH/c1-7-9(6-11)8-4-2-3-5-10(8)12-7;/h2-5,12H,6,11H2,1H3;1H
InChIKey
OSZQKVPKTUTEHD-UHFFFAOYSA-N
Canonic Smiles
NCc1c(C)[nH]c2c1cccc2.Cl
Isomeric Smiles
c1(c([nH]c2c1cccc2)C)CN.Cl
Calculated Properties
JChem
Acid pKa
16.188864
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.6098194
LogD (pH = 7.4)
-0.86705947
Log P
1.3973376
Molar Refractivity
50.7676
Polarizability
20.76899
Polar Surface Area
41.81
Rotatable Bonds
1
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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