Molecule

ID:59050

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₄O
Molecular Mass
174.58828
Exact Mass
174.03083854
Charge
0
InChI
InChI=1S/C5H7ClN4O/c1-10-2-3(4(6)9-10)5(11)8-7/h2H,7H2,1H3,(H,8,11)
InChIKey
IBBJIYFPZOBAQA-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(c(n1)Cl)C(=O)NN
Isomeric Smiles
n1n(cc(c1Cl)C(=O)NN)C
Calculated Properties
JChem
Acid pKa
11.493455
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.22108392
LogD (pH = 7.4)
-0.22054636
Log P
-0.22050767
Molar Refractivity
54.39
Polarizability
15.277346
Polar Surface Area
72.94
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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