(Z)-3-(4-chloroanilino)-1-(2,5-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate

Formula:C20H13N2OCl3S Mutagenic:none Tumorigenic:high Reproductive Effective:high (Z)-3-(4-chloroanilino)-1-(2,5-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is a drug-like molecule.

MolName	(Z)-3-(4-chloroanilino)-1-(2,5-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
MolecularFormula	C20H13N2OCl3S
Smiles	[O-]/C(/c(cc(cc1)Cl)c1Cl)=C(/C(Nc(cc1)ccc1Cl)=S)\[n+]1ccccc1
InChI	InChI=1S/C20H13Cl3N2OS/c21-13-4-7-15(8-5-13)24-20(27)18(25-10-2-1-3-11-25)19(26)16-12-14(22)6-9-17(16)23/h1-12H,(H-,24,26,27)
InChIK	HCBHORLPSZDZIP-UHFFFAOYSA-N
TotalMolweight	435.761
Molweight	435.761
MonoisotopicMass	433.981414
CLogP	-0.616
CLogS	-6.591
H Acceptors	3
H Donors	1
TotalSurfaceArea	310.96
Relative PSA	0.1817
PolarSurfaceArea	71.06
Druglikeness	-0.65751
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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