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C9H12N2O3S | Cheminformatics

(2Z)-2-(2-morpholin-4-yl-2-oxoethylidene)-1,3-thiazolidin-4-one

Molecular Formula : C9H12N2O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(2Z)-2-(2-morpholin-4-yl-2-oxoethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.

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 :

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