(Z)-3-benzamido-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate

Formula:C21H16N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-3-benzamido-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is a drug-like molecule.

MolName	(Z)-3-benzamido-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
MolecularFormula	C21H16N2O2S
Smiles	[O-]/C(/c1ccccc1)=C(/C(NC(c1ccccc1)=O)=S)\[n+]1ccccc1
InChI	InChI=1S/C21H16N2O2S/c24-19(16-10-4-1-5-11-16)18(23-14-8-3-9-15-23)21(26)22-20(25)17-12-6-2-7-13-17/h1-15H,(H-,22,24,25,26)
InChIK	PVWBHAASPRZKMO-UHFFFAOYSA-N
TotalMolweight	360.436
Molweight	360.436
MonoisotopicMass	360.093248
CLogP	-2.6422
CLogS	-4.328
H Acceptors	4
H Donors	1
TotalSurfaceArea	282.45
Relative PSA	0.2462
PolarSurfaceArea	88.13
Druglikeness	1.0838
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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