(E)-1-[4-(difluoromethoxy)phenyl]-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate

Formula:C20H16N2O3F2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-1-[4-(difluoromethoxy)phenyl]-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is a drug-like molecule.

MolName	(E)-1-[4-(difluoromethoxy)phenyl]-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
MolecularFormula	C20H16N2O3F2S
Smiles	[O-]/C(/c(cc1)ccc1OC(F)F)=C(\C(NCc1ccco1)=S)/[n+]1ccccc1
InChI	InChI=1S/C20H16F2N2O3S/c21-20(22)27-15-8-6-14(7-9-15)18(25)17(24-10-2-1-3-11-24)19(28)23-13-16-5-4-12-26-16/h1-12,20H,13H2,(H-,23,25,28)
InChIK	JNLJOMBJCQGVNI-UHFFFAOYSA-N
TotalMolweight	402.42
Molweight	402.42
MonoisotopicMass	402.084969
CLogP	-3.3665
CLogS	-4.503
H Acceptors	5
H Donors	1
TotalSurfaceArea	303.35
Relative PSA	0.26573
PolarSurfaceArea	93.43
Druglikeness	-2.6108
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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