Molecule

ID:77476

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂OS
Molecular Mass
206.2642
Exact Mass
206.05138395
Charge
0
InChI
InChI=1S/C10H10N2OS/c1-7-9(6-13)14-10(12-7)8-2-4-11-5-3-8/h2-5,13H,6H2,1H3
InChIKey
WSBUFMYJALKFHJ-UHFFFAOYSA-N
Canonic Smiles
OCc1sc(nc1C)c1ccncc1
Isomeric Smiles
n1c(c2ccncc2)sc(c1C)CO
Calculated Properties
JChem
Acid pKa
14.188784
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9324222
LogD (pH = 7.4)
0.93555605
Log P
0.9355962
Molar Refractivity
65.4026
Polarizability
21.701445
Polar Surface Area
46.01
Rotatable Bonds
2
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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