(Z)-3-anilino-1-(3-bromophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate

Formula:C20H15N2OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-anilino-1-(3-bromophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is a drug-like molecule.

MolName	(Z)-3-anilino-1-(3-bromophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
MolecularFormula	C20H15N2OBrS
Smiles	[O-]/C(/c1cccc(Br)c1)=C(/C(Nc1ccccc1)=S)\[n+]1ccccc1
InChI	InChI=1S/C20H15BrN2OS/c21-16-9-7-8-15(14-16)19(24)18(23-12-5-2-6-13-23)20(25)22-17-10-3-1-4-11-17/h1-14H,(H-,22,24,25)
InChIK	LQXJBRKBUYXRSA-UHFFFAOYSA-N
TotalMolweight	411.322
Molweight	411.322
MonoisotopicMass	410.008844
CLogP	-1.7088
CLogS	-5.217
H Acceptors	3
H Donors	1
TotalSurfaceArea	283.33
Relative PSA	0.19941
PolarSurfaceArea	71.06
Druglikeness	-2.565
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
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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