(E)-1-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-4-ylprop-2-en-1-one

Formula:C13H10N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(1-oxidopyridin-1-ium-2-yl)-3-pyridin-4-ylprop-2-en-1-one
MolecularFormula	C13H10N2O2
Smiles	[O-][n+](cccc1)c1C(/C=C/c1ccncc1)=O
InChI	InChI=1S/C13H10N2O2/c16-13(12-3-1-2-10-15(12)17)5-4-11-6-8-14-9-7-11/h1-10H
InChIK	TZHITPRSUUMALI-UHFFFAOYSA-N
TotalMolweight	226.234
Molweight	226.234
MonoisotopicMass	226.074228
CLogP	0.8805
CLogS	-4.658
H Acceptors	4
TotalSurfaceArea	178.08
Relative PSA	0.2149
PolarSurfaceArea	55.42
Druglikeness	-1.1049
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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