Molecule

ID:121593

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂OS
Molecular Mass
192.23762
Exact Mass
192.03573389
Charge
0
InChI
InChI=1S/C9H8N2OS/c1-7(12)11-9-4-2-8(3-5-9)10-6-13/h2-5H,1H3,(H,11,12)
InChIKey
OSGLRYINFGRXPC-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)NC(=O)C
Isomeric Smiles
C(=Nc1ccc(NC(=O)C)cc1)=S
Calculated Properties
JChem
Acid pKa
14.200258
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2327797
LogD (pH = 7.4)
2.2327814
Log P
2.2327814
Molar Refractivity
57.9839
Polarizability
20.899794
Polar Surface Area
41.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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