Molecule

ID:7249

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c1-4-2-3-5(10-4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
InChIKey
HMBLMUIDVHBCOW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)C(=O)NN
Isomeric Smiles
c1(sc(cc1)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.000598
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0854998
LogD (pH = 7.4)
1.0861443
Log P
1.0861526
Molar Refractivity
41.5667
Polarizability
15.0670185
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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