MolName : (2Z)-2-(2-morpholin-4-yl-2-oxoethylidene)-1,3-thiazolidin-4-one |
MolecularFormula : C9H12N2O3S |
Smiles : O=C(/C=C(/N1)\SCC1=O)N1CCOCC1 |
InChI : InChI=1S/C9H12N2O3S/c12-7-6-15-8(10-7)5-9(13)11-1-3-14-4-2-11/h5H,1-4,6H2,(H,10,12) |
InChIK : SQUKTJUSQLKGNC-UHFFFAOYSA-N |
TotalMolweight : 228.271 |
Molweight : 228.271 |
MonoisotopicMass : 228.056863 |
CLogP : -0.4722 |
CLogS : -0.926 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 164.76 |
Relative PSA : 0.41624 |
PolarSurfaceArea : 83.94 |
Druglikeness : 2.5382 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : polar activated DB |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Sp3Atoms : 7 |
Symmetricatoms : 2 |
Amides : 2 |
StereoCon : |