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

Formula:C19H12N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
MolecularFormula	C19H12N2O4S
Smiles	N#Cc1c(CN(C(/C(/S2)=C\c(cc3)cc4c3OCO4)=O)C2=O)cccc1
InChI	InChI=1S/C19H12N2O4S/c20-9-13-3-1-2-4-14(13)10-21-18(22)17(26-19(21)23)8-12-5-6-15-16(7-12)25-11-24-15/h1-8H,10-11H2
InChIK	AHIQWNRPXDXWJG-UHFFFAOYSA-N
TotalMolweight	364.38
Molweight	364.38
MonoisotopicMass	364.051778
CLogP	3.1074
CLogS	-5.594
H Acceptors	6
TotalSurfaceArea	263.25
Relative PSA	0.30648
PolarSurfaceArea	104.93
Druglikeness	0.024791
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	1
StereoCon

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