Molecule

ID:24015

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃O
Molecular Mass
225.67478
Exact Mass
225.0668897
Charge
0
InChI
InChI=1S/C10H11N3O.ClH/c1-11-7-9-12-10(13-14-9)8-5-3-2-4-6-8;/h2-6,11H,7H2,1H3;1H
InChIKey
CGMVWQUXJQHUJK-UHFFFAOYSA-N
Canonic Smiles
CNCc1onc(n1)c1ccccc1.Cl
Isomeric Smiles
n1c(noc1CNC)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.06263011
LogD (pH = 7.4)
1.5327017
Log P
1.8393869
Molar Refractivity
64.6602
Polarizability
20.920364
Polar Surface Area
50.95
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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