(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-(furan-2-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

Formula:C16H9N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-(furan-2-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.

MolName	(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-(furan-2-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
MolecularFormula	C16H9N3O4S
Smiles	O=C(/C(/S1)=C/c(cc2)cc3c2OCO3)n2c1nnc2-c1ccco1
InChI	InChI=1S/C16H9N3O4S/c20-15-13(7-9-3-4-10-12(6-9)23-8-22-10)24-16-18-17-14(19(15)16)11-2-1-5-21-11/h1-7H,8H2
InChIK	HTWRBHOQZOJEDI-UHFFFAOYSA-N
TotalMolweight	339.33
Molweight	339.33
MonoisotopicMass	339.031377
CLogP	2.6566
CLogS	-5.08
H Acceptors	7
TotalSurfaceArea	235.9
Relative PSA	0.39614
PolarSurfaceArea	104.68
Druglikeness	3.8817
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	3
StereoCon

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1 - (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-(furan-2-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-(furan-2-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

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