(5E)-5-benzylidene-3-[[3-(trifluoromethyl)anilino]methyl]-1,3-thiazolidine-2,4-dione

Formula:C18H13N2O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-benzylidene-3-[[3-(trifluoromethyl)anilino]methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-benzylidene-3-[[3-(trifluoromethyl)anilino]methyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C18H13N2O2F3S
Smiles	O=C(/C(/S1)=C\c2ccccc2)N(CNc2cc(C(F)(F)F)ccc2)C1=O
InChI	InChI=1S/C18H13F3N2O2S/c19-18(20,21)13-7-4-8-14(10-13)22-11-23-16(24)15(26-17(23)25)9-12-5-2-1-3-6-12/h1-10,22H,11H2
InChIK	DUJBYIFMSQMYDE-UHFFFAOYSA-N
TotalMolweight	378.373
Molweight	378.373
MonoisotopicMass	378.064982
CLogP	3.752
CLogS	-5.386
H Acceptors	4
H Donors	1
TotalSurfaceArea	262.2
Relative PSA	0.22342
PolarSurfaceArea	74.71
Druglikeness	-3.4029
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	methanediamine; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	1
StereoCon

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