Molecule
ID:90111
General Information
Molecular Formula
C₄H₄N₂OS
Molecular Mass
128.15236
Exact Mass
128.00443376
Charge
0
InChI
InChI=1S/C4H4N2OS/c5-4(7)3-1-8-2-6-3/h1-2H,(H2,5,7)
InChIKey
PQQRHWFRZHFGFM-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cscn1
Isomeric Smiles
n1cscc1C(=O)N
Calculated Properties
JChem
Acid pKa
13.970774
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.13147122
LogD (pH = 7.4)
-0.13147068
Log P
-0.13147078
Molar Refractivity
29.9728
Polarizability
11.077544
Polar Surface Area
55.98
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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