Molecule

ID:53265

General Information
Structure
MolImage
Molecular Formula
C₄H₄ClN₃OS₂
Molecular Mass
209.67706
Exact Mass
208.94843144
Charge
0
InChI
InChI=1S/C4H4ClN3OS2/c5-3-7-4(11-8-3)10-1-2(6)9/h1H2,(H2,6,9)
InChIKey
FODVTALANRXBPI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CSc1nc(ns1)Cl
Isomeric Smiles
c1(nc(ns1)Cl)SCC(=O)N
Calculated Properties
JChem
Acid pKa
13.307694
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9137689
LogD (pH = 7.4)
0.91376936
Log P
0.9137689
Molar Refractivity
46.8649
Polarizability
17.476795
Polar Surface Area
68.87
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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