Molecule

ID:67214

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₄OS
Molecular Mass
194.21374
Exact Mass
194.02623183
Charge
0
InChI
InChI=1S/C7H6N4OS/c1-13-7-8-2-4-5(11-7)6(12)10-3-9-4/h2-3H,1H3,(H,9,10,12)
InChIKey
AVUWNHRPNQVSOI-UHFFFAOYSA-N
Canonic Smiles
CSc1ncc2c(n1)c(=O)nc[nH]2
Isomeric Smiles
c1[nH]c2c(c(=O)n1)nc(nc2)SC
Calculated Properties
JChem
Acid pKa
6.646653
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.98330736
LogD (pH = 7.4)
0.29577777
Log P
1.0116957
Molar Refractivity
51.4632
Polarizability
18.393473
Polar Surface Area
67.24
Rotatable Bonds
1
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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