Molecule

ID:38266

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₃O
Molecular Mass
175.6161
Exact Mass
175.05123964
Charge
0
InChI
InChI=1S/C6H9N3O.ClH/c1-4-8-6(10-9-4)5-2-7-3-5;/h5,7H,2-3H2,1H3;1H
InChIKey
XSXSNQPOWQLACE-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(n1)C1CNC1.Cl
Isomeric Smiles
n1c(onc1C)C1CNC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.196794
LogD (pH = 7.4)
-1.7434971
Log P
-0.018729914
Molar Refractivity
36.6608
Polarizability
13.494288
Polar Surface Area
50.95
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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