(E)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate

Formula:C17H14N2O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate is a drug-like molecule.

MolName	(E)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate
MolecularFormula	C17H14N2O2S2
Smiles	[O-]/C(/c1cccs1)=C(\C(NCc1ccco1)=S)/[n+]1ccccc1
InChI	InChI=1S/C17H14N2O2S2/c20-16(14-7-5-11-23-14)15(19-8-2-1-3-9-19)17(22)18-12-13-6-4-10-21-13/h1-11H,12H2,(H-,18,20,22)
InChIK	OSGWCDQLHWOEKO-UHFFFAOYSA-N
TotalMolweight	342.442
Molweight	342.442
MonoisotopicMass	342.049668
CLogP	-3.6693
CLogS	-3.891
H Acceptors	4
H Donors	1
TotalSurfaceArea	264.09
Relative PSA	0.34447
PolarSurfaceArea	112.44
Druglikeness	2.1289
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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