Molecule

ID:40652

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₃S
Molecular Mass
226.2523
Exact Mass
226.04121319
Charge
0
InChI
InChI=1S/C9H10N2O3S/c1-2-14-8(13)6-5-10-9-11(7(6)12)3-4-15-9/h5H,2-4H2,1H3
InChIKey
HYGPOYRIGOMNSV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2n(c1=O)CCS2
Isomeric Smiles
n12c(=O)c(cnc1SCC2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9805808
LogD (pH = 7.4)
0.9805808
Log P
0.9805808
Molar Refractivity
55.9919
Polarizability
21.48927
Polar Surface Area
58.97
Rotatable Bonds
3
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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