(5Z)-3-(2-aminoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione

Formula:C14H14N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(2-aminoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-(2-aminoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C14H14N2O2S
Smiles	NCCN(C(/C(/S1)=C/C=C/c2ccccc2)=O)C1=O
InChI	InChI=1S/C14H14N2O2S/c15-9-10-16-13(17)12(19-14(16)18)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10,15H2
InChIK	URIPXAQDJAXNTA-UHFFFAOYSA-N
TotalMolweight	274.343
Molweight	274.343
MonoisotopicMass	274.077598
CLogP	1.4807
CLogS	-2.968
H Acceptors	4
H Donors	1
TotalSurfaceArea	210.3
Relative PSA	0.29667
PolarSurfaceArea	88.7
Druglikeness	-0.66048
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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