Molecule
ID:58661
General Information
Molecular Formula
C₃H₇N₃O₂S
Molecular Mass
149.17158
Exact Mass
149.02589748
Charge
0
InChI
InChI=1S/C3H7N3O2S/c1-9(7,8)3-2-5-6-4/h2-3H2,1H3
InChIKey
DRFFXWAMZHTTEG-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)CCN=[N+]=[N-]
Isomeric Smiles
CS(=O)(=O)CCN=[N+]=[N-]
Calculated Properties
JChem
Acid pKa
4.6926546
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.1325858
LogD (pH = 7.4)
-1.1325858
Log P
-1.0185401
Molar Refractivity
32.6212
Polarizability
12.866954
Polar Surface Area
63.57
Rotatable Bonds
3
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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