Molecule

ID:62940

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₄O₂
Molecular Mass
178.57698
Exact Mass
178.02575316
Charge
0
InChI
InChI=1S/C4H6N4O2.ClH/c5-1-2-7-4(3(6)9)10-8-2;/h1,5H2,(H2,6,9);1H
InChIKey
RKEDXQOFNBFPAK-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(n1)C(=O)N.Cl
Isomeric Smiles
c1(nc(no1)CN)C(=O)N.Cl
Calculated Properties
JChem
Acid pKa
11.143703
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.0658872
LogD (pH = 7.4)
-1.6203089
Log P
-1.4317956
Molar Refractivity
33.2138
Polarizability
11.863832
Polar Surface Area
108.03
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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