(2E)-2-[(2E)-4-oxo-2-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-5-ylidene]acetic acid

Formula:C12H14N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(2E)-4-oxo-2-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-5-ylidene]acetic acid is a drug-like molecule.

MolName	(2E)-2-[(2E)-4-oxo-2-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-5-ylidene]acetic acid
MolecularFormula	C12H14N2O4S
Smiles	OC(/C=C(\C(N1)=O)/S/C1=C/C(N1CCCCC1)=O)=O
InChI	InChI=1S/C12H14N2O4S/c15-10(14-4-2-1-3-5-14)7-9-13-12(18)8(19-9)6-11(16)17/h6-7H,1-5H2,(H,13,18)(H,16,17)
InChIK	SYJCRMKBLRDLOD-UHFFFAOYSA-N
TotalMolweight	282.319
Molweight	282.319
MonoisotopicMass	282.067428
CLogP	0.4125
CLogS	-1.892
H Acceptors	6
H Donors	2
TotalSurfaceArea	203.57
Relative PSA	0.41617
PolarSurfaceArea	112.01
Druglikeness	2.3392
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Sp3Atoms	7
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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