Molecule
ID:90252
General Information
Molecular Formula
C₄H₅N₃OS
Molecular Mass
143.167
Exact Mass
143.0153328
Charge
0
InChI
InChI=1S/C4H5N3OS/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8)
InChIKey
PNAGFBYMIAMVGC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cncs1
Isomeric Smiles
s1c(cnc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
10.619444
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6818569
LogD (pH = 7.4)
-0.6815958
Log P
-0.6813574
Molar Refractivity
34.613
Polarizability
12.515549
Polar Surface Area
68.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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