Molecule

ID:17227

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃O
Molecular Mass
225.67478
Exact Mass
225.0668897
Charge
0
InChI
InChI=1S/C10H11N3O.ClH/c1-11-7-9-12-13-10(14-9)8-5-3-2-4-6-8;/h2-6,11H,7H2,1H3;1H
InChIKey
VMTRWBPIDRYMDZ-UHFFFAOYSA-N
Canonic Smiles
CNCc1nnc(o1)c1ccccc1.Cl
Isomeric Smiles
n1nc(oc1c1ccccc1)CNC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3558649
LogD (pH = 7.4)
0.26522696
Log P
0.6109711
Molar Refractivity
64.6602
Polarizability
20.922108
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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