(5E)-3-prop-2-ynyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C18H11N2O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-prop-2-ynyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-3-prop-2-ynyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C18H11N2O2F3S
Smiles	C#CCN(C(/C(/S1)=C\c2cccn2-c2cc(C(F)(F)F)ccc2)=O)C1=O
InChI	InChI=1S/C18H11F3N2O2S/c1-2-8-23-16(24)15(26-17(23)25)11-14-7-4-9-22(14)13-6-3-5-12(10-13)18(19,20)21/h1,3-7,9-11H,8H2
InChIK	HRISHORKYFUMNL-UHFFFAOYSA-N
TotalMolweight	376.357
Molweight	376.357
MonoisotopicMass	376.049332
CLogP	2.8567
CLogS	-6.526
H Acceptors	4
TotalSurfaceArea	263.75
Relative PSA	0.2047
PolarSurfaceArea	67.61
Druglikeness	-2.5122
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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