2-[[(5E)-5-[(5-bromofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile

Formula:C16H9N2O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[(5E)-5-[(5-bromofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[(5E)-5-[(5-bromofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
MolecularFormula	C16H9N2O3BrS
Smiles	N#Cc1c(CN(C(/C(/S2)=C\c(o3)ccc3Br)=O)C2=O)cccc1
InChI	InChI=1S/C16H9BrN2O3S/c17-14-6-5-12(22-14)7-13-15(20)19(16(21)23-13)9-11-4-2-1-3-10(11)8-18/h1-7H,9H2
InChIK	WPOGYKGNUZKIKY-UHFFFAOYSA-N
TotalMolweight	389.228
Molweight	389.228
MonoisotopicMass	387.951724
CLogP	3.0073
CLogS	-5.162
H Acceptors	5
TotalSurfaceArea	251.31
Relative PSA	0.2976
PolarSurfaceArea	99.61
Druglikeness	-2.3555
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
StereoCon

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