(E)-1-(1-oxidopyridin-1-ium-4-yl)-3-[4-[(E)-3-(1-oxidopyridin-1-ium-4-yl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one

Formula:C22H16N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(1-oxidopyridin-1-ium-4-yl)-3-[4-[(E)-3-(1-oxidopyridin-1-ium-4-yl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(1-oxidopyridin-1-ium-4-yl)-3-[4-[(E)-3-(1-oxidopyridin-1-ium-4-yl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
MolecularFormula	C22H16N2O4
Smiles	[O-][n+](cc1)ccc1C(/C=C/c1ccc(/C=C/C(c(cc2)cc[n+]2[O-])=O)cc1)=O
InChI	InChI=1S/C22H16N2O4/c25-21(19-9-13-23(27)14-10-19)7-5-17-1-2-18(4-3-17)6-8-22(26)20-11-15-24(28)16-12-20/h1-16H
InChIK	XHLSCWAKZXCENT-UHFFFAOYSA-N
TotalMolweight	372.379
Molweight	372.379
MonoisotopicMass	372.111008
CLogP	1.9952
CLogS	-9.242
H Acceptors	6
TotalSurfaceArea	285.38
Relative PSA	0.19132
PolarSurfaceArea	85.06
Druglikeness	-1.2882
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	17
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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1 - (E)-1-(1-oxidopyridin-1-ium-4-yl)-3-[4-[(E)-3-(1-oxidopyridin-1-ium-4-yl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one | 2 - (E)-1-(1-oxidopyridin-1-ium-4-yl)-3-[4-[(E)-3-(1-oxidopyridin-1-ium-4-yl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one

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