(5Z)-5-(naphthalen-1-ylmethylidene)-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Formula:C17H11NO2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (5Z)-5-(naphthalen-1-ylmethylidene)-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-(naphthalen-1-ylmethylidene)-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H11NO2S
Smiles	C#CCN(C(/C(/S1)=C/c2cccc3ccccc23)=O)C1=O
InChI	InChI=1S/C17H11NO2S/c1-2-10-18-16(19)15(21-17(18)20)11-13-8-5-7-12-6-3-4-9-14(12)13/h1,3-9,11H,10H2
InChIK	AXGHRIUBAKNCPO-UHFFFAOYSA-N
TotalMolweight	293.345
Molweight	293.345
MonoisotopicMass	293.051049
CLogP	2.9639
CLogS	-5.017
H Acceptors	3
TotalSurfaceArea	219.93
Relative PSA	0.21425
PolarSurfaceArea	62.68
Druglikeness	4.4341
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Amides	1
StereoCon

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