Molecule

ID:81569

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c1-3-2-10-6(8)4(3)5(7)9/h2H,8H2,1H3,(H2,7,9)
InChIKey
AXLIJQRGPVJGSO-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(N)scc1C
Isomeric Smiles
s1c(c(c(c1)C)C(=O)N)N
Calculated Properties
JChem
Acid pKa
15.316865
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1048193
LogD (pH = 7.4)
1.1048194
Log P
1.1048194
Molar Refractivity
41.1437
Polarizability
14.783235
Polar Surface Area
69.11
Rotatable Bonds
1
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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