(Z)-3-(ethylamino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate

Formula:C22H20N2OS Mutagenic:high Tumorigenic:high Reproductive Effective:low (Z)-3-(ethylamino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is a drug-like molecule.

MolName	(Z)-3-(ethylamino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
MolecularFormula	C22H20N2OS
Smiles	CCNC(/C(/[n+]1ccccc1)=C(\c(cc1)ccc1-c1ccccc1)/[O-])=S
InChI	InChI=1S/C22H20N2OS/c1-2-23-22(26)20(24-15-7-4-8-16-24)21(25)19-13-11-18(12-14-19)17-9-5-3-6-10-17/h3-16H,2H2,1H3,(H-,23,25,26)
InChIK	HGPSJILKDVMTQL-UHFFFAOYSA-N
TotalMolweight	360.48
Molweight	360.48
MonoisotopicMass	360.129633
CLogP	-2.0772
CLogS	-5.262
H Acceptors	3
H Donors	1
TotalSurfaceArea	290.72
Relative PSA	0.19435
PolarSurfaceArea	71.06
Druglikeness	-0.2275
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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