Molecule

ID:60348

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O₃S
Molecular Mass
224.23642
Exact Mass
224.02556313
Charge
0
InChI
InChI=1S/C9H8N2O3S/c1-2-13-9(12)8-10-7(11-14-8)6-4-3-5-15-6/h3-5H,2H2,1H3
InChIKey
JTFIAJRCLMUKEB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)c1cccs1
Isomeric Smiles
n1oc(nc1c1cccs1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1882486
LogD (pH = 7.4)
2.1882486
Log P
2.1882486
Molar Refractivity
65.2262
Polarizability
20.785288
Polar Surface Area
65.22
Rotatable Bonds
4
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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