Molecule
ID:60491
General Information
Molecular Formula
C₂H₂N₂OS
Molecular Mass
102.11508
Exact Mass
101.98878369
Charge
0
InChI
InChI=1S/C2H2N2OS/c5-2-4-3-1-6-2/h1H,(H,4,5)
InChIKey
OVZHELCFKSFINS-UHFFFAOYSA-N
Canonic Smiles
Oc1nncs1
Isomeric Smiles
c1(scnn1)O
Calculated Properties
JChem
Acid pKa
4.5106964
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.71449965
LogD (pH = 7.4)
-1.1559955
Log P
0.12897658
Molar Refractivity
22.8434
Polarizability
8.050293
Polar Surface Area
46.01
Rotatable Bonds
0
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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