(5E)-5-[(4-bromophenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Formula:C21H14NO2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:low (5E)-5-[(4-bromophenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName	(5E)-5-[(4-bromophenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C21H14NO2BrS
Smiles	O=C(/C(/S1)=C\c(cc2)ccc2Br)N(Cc2cc3ccccc3cc2)C1=O
InChI	InChI=1S/C21H14BrNO2S/c22-18-9-6-14(7-10-18)12-19-20(24)23(21(25)26-19)13-15-5-8-16-3-1-2-4-17(16)11-15/h1-12H,13H2
InChIK	MWKHVPXFWOPIHH-UHFFFAOYSA-N
TotalMolweight	424.317
Molweight	424.317
MonoisotopicMass	422.99286
CLogP	5.08
CLogS	-6.55
H Acceptors	3
TotalSurfaceArea	274.51
Relative PSA	0.17165
PolarSurfaceArea	62.68
Druglikeness	2.618
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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