Molecule

ID:28552

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₃O₂
Molecular Mass
191.6155
Exact Mass
191.04615426
Charge
0
InChI
InChI=1S/C6H9N3O2.ClH/c1-2-11-6(10)5-4(7)3-8-9-5;/h3H,2,7H2,1H3,(H,8,9);1H
InChIKey
CHWXQJCIWUXTSC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)cn[nH]1.Cl
Isomeric Smiles
c1(c(cn[nH]1)N)C(=O)OCC.Cl
Calculated Properties
JChem
Acid pKa
13.7672825
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.37878793
LogD (pH = 7.4)
0.3787897
Log P
0.3787899
Molar Refractivity
41.0972
Polarizability
14.629178
Polar Surface Area
81.0
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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