Molecule

ID:78872

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂OS
Molecular Mass
192.23762
Exact Mass
192.03573389
Charge
0
InChI
InChI=1S/C9H8N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12)
InChIKey
ZXKPFIRPUUAAPQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc2c(s1)cccc2
Isomeric Smiles
s1c(cc2c1cccc2)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.849672
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5352917
LogD (pH = 7.4)
1.5358671
Log P
1.5358746
Molar Refractivity
52.7447
Polarizability
20.767014
Polar Surface Area
55.12
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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