Molecule

ID:117064

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O₂S
Molecular Mass
196.22632
Exact Mass
196.03064851
Charge
0
InChI
InChI=1S/C8H8N2O2S/c11-6-4-9-8(12)7(10-6)5-2-1-3-13-5/h1-3,7H,4H2,(H,9,12)(H,10,11)
InChIKey
JRMRWILUSIZZPU-UHFFFAOYSA-N
Canonic Smiles
O=C1CNC(=O)C(N1)c1cccs1
Isomeric Smiles
C1(NC(=O)CNC1=O)c1sccc1
Calculated Properties
JChem
Acid pKa
10.233671
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.3612628
LogD (pH = 7.4)
-0.3618196
Log P
-0.3612557
Molar Refractivity
46.8548
Polarizability
18.13861
Polar Surface Area
58.2
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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