Molecule

ID:116227

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c1-8-6(9)4-2-3-10-5(4)7/h2-3H,7H2,1H3,(H,8,9)
InChIKey
NQJGYNPZZDGYRM-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1ccsc1N
Isomeric Smiles
c1(c(scc1)N)C(=O)NC
Calculated Properties
JChem
Acid pKa
15.431327
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8150727
LogD (pH = 7.4)
0.81507415
Log P
0.81507415
Molar Refractivity
40.9992
Polarizability
14.862217
Polar Surface Area
55.12
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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