Molecule

ID:34632

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃
Molecular Mass
211.69126
Exact Mass
211.08762514
Charge
0
InChI
InChI=1S/C10H13N3.ClH/c1-11-7-10-12-8-5-3-4-6-9(8)13(10)2;/h3-6,11H,7H2,1-2H3;1H
InChIKey
TUJKLAZGCGYNFK-UHFFFAOYSA-N
Canonic Smiles
CNCc1nc2c(n1C)cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)nc(n2C)CNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5126284
LogD (pH = 7.4)
0.21022512
Log P
1.1146953
Molar Refractivity
52.4402
Polarizability
21.669878
Polar Surface Area
29.85
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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