Molecule

ID:74140

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂O₂S₃
Molecular Mass
208.28176
Exact Mass
207.94349038
Charge
0
InChI
InChI=1S/C4H4N2O2S3/c7-2(8)1-10-4-6-5-3(9)11-4/h1H2,(H,5,9)(H,7,8)
InChIKey
UJBXVTJYSIDCIE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSc1nnc(s1)S
Isomeric Smiles
n1c(SCC(=O)O)sc(n1)S
Calculated Properties
JChem
Acid pKa
2.8557737
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.632352
LogD (pH = 7.4)
-3.3608582
Log P
1.0048656
Molar Refractivity
47.3367
Polarizability
17.802843
Polar Surface Area
63.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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