Molecule

ID:86525

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c7-8-6(9)3-5-1-2-10-4-5/h1-2,4H,3,7H2,(H,8,9)
InChIKey
YNMRDHMMFCGQBD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1cscc1
Isomeric Smiles
s1cc(CC(=O)NN)cc1
Calculated Properties
JChem
Acid pKa
12.566081
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.28624475
LogD (pH = 7.4)
0.28799263
Log P
0.28801775
Molar Refractivity
40.7777
Polarizability
15.33031
Polar Surface Area
55.12
Rotatable Bonds
2
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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