Molecule

ID:134292

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂OS
Molecular Mass
192.23762
Exact Mass
192.03573389
Charge
0
InChI
InChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)
InChIKey
ZZRIQDWDJVLELF-UHFFFAOYSA-N
Canonic Smiles
O=C1CNC(=S)N1c1ccccc1
Isomeric Smiles
c1ccc(cc1)N1C(=O)CNC1=S
Calculated Properties
JChem
Acid pKa
11.756083
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3212833
LogD (pH = 7.4)
1.3212646
Log P
1.3212836
Molar Refractivity
53.7113
Polarizability
20.895958
Polar Surface Area
32.34
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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