Molecule

ID:27153

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
InChIKey
MVROGAXPQMISQI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sccc1C
Isomeric Smiles
c1(C(=O)NN)c(ccs1)C
Calculated Properties
JChem
Acid pKa
14.225433
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.953053
LogD (pH = 7.4)
0.9537048
Log P
0.9537132
Molar Refractivity
41.5516
Polarizability
15.063472
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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