Molecule

ID:24602

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃O
Molecular Mass
163.6054
Exact Mass
163.05123964
Charge
0
InChI
InChI=1S/C5H9N3O.ClH/c1-4-7-8-5(9-4)3-6-2;/h6H,3H2,1-2H3;1H
InChIKey
HGEXLRMAXQCXFB-UHFFFAOYSA-N
Canonic Smiles
CNCc1nnc(o1)C.Cl
Isomeric Smiles
n1nc(oc1CNC)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9180298
LogD (pH = 7.4)
-1.4764487
Log P
-1.2907344
Molar Refractivity
33.9993
Polarizability
12.451672
Polar Surface Area
50.95
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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