(E)-3-(naphthalen-1-ylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate

Formula:C24H18N2OS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(naphthalen-1-ylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is a drug-like molecule.

MolName	(E)-3-(naphthalen-1-ylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
MolecularFormula	C24H18N2OS
Smiles	[O-]/C(/c1ccccc1)=C(\C(Nc1cccc2ccccc12)=S)/[n+]1ccccc1
InChI	InChI=1S/C24H18N2OS/c27-23(19-11-3-1-4-12-19)22(26-16-7-2-8-17-26)24(28)25-21-15-9-13-18-10-5-6-14-20(18)21/h1-17H,(H-,25,27,28)
InChIK	UXMUUUYGNLTXRY-UHFFFAOYSA-N
TotalMolweight	382.486
Molweight	382.486
MonoisotopicMass	382.113983
CLogP	-1.2396
CLogS	-5.989
H Acceptors	3
H Donors	1
TotalSurfaceArea	299.3
Relative PSA	0.18877
PolarSurfaceArea	71.06
Druglikeness	-0.77502
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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