Molecule

ID:86681

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₄O
Molecular Mass
186.59898
Exact Mass
186.03083854
Charge
0
InChI
InChI=1S/C6H7ClN4O/c1-3-2-4(5(12)11-8)10-6(7)9-3/h2H,8H2,1H3,(H,11,12)
InChIKey
GVKXWHDKTUTPGS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(C)nc(n1)Cl
Isomeric Smiles
n1c(cc(nc1Cl)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.22312
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.02912444
LogD (pH = 7.4)
0.029663427
Log P
0.029670898
Molar Refractivity
46.0029
Polarizability
16.69843
Polar Surface Area
80.9
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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