(2Z,4Z)-2,4-bis(pyridin-3-ylmethylidene)thiolan-3-one

Formula:C16H12N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z,4Z)-2,4-bis(pyridin-3-ylmethylidene)thiolan-3-one is a drug-like molecule.

MolName	(2Z,4Z)-2,4-bis(pyridin-3-ylmethylidene)thiolan-3-one
MolecularFormula	C16H12N2OS
Smiles	O=C(/C(/CS1)=C/c2cnccc2)/C1=C/c1cnccc1
InChI	InChI=1S/C16H12N2OS/c19-16-14(7-12-3-1-5-17-9-12)11-20-15(16)8-13-4-2-6-18-10-13/h1-10H,11H2
InChIK	PLCJKZIVBVDKKJ-UHFFFAOYSA-N
TotalMolweight	280.35
Molweight	280.35
MonoisotopicMass	280.067033
CLogP	2.1033
CLogS	-2.963
H Acceptors	3
TotalSurfaceArea	215.46
Relative PSA	0.24353
PolarSurfaceArea	68.15
Druglikeness	2.186
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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