Molecule

ID:43086

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₂S
Molecular Mass
156.16246
Exact Mass
155.99934838
Charge
0
InChI
InChI=1S/C5H4N2O2S/c8-7(9)4-2-1-3-6-5(4)10/h1-3H,(H,6,10)
InChIKey
LKNPLDRVWHXGKZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccnc1S
Isomeric Smiles
c1cnc(c(c1)[N+](=O)[O-])S
Calculated Properties
JChem
Acid pKa
6.580129
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3498842
LogD (pH = 7.4)
0.5981763
Log P
1.3832223
Molar Refractivity
38.5449
Polarizability
14.424559
Polar Surface Area
56.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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