(E)-1-(3-bromophenyl)-3-pyridin-1-ium-1-ylprop-2-en-1-one

Formula:C14H11NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3-bromophenyl)-3-pyridin-1-ium-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3-bromophenyl)-3-pyridin-1-ium-1-ylprop-2-en-1-one
MolecularFormula	C14H11NOBr
Smiles	O=C(/C=C/[n+]1ccccc1)c1cccc(Br)c1
InChI	InChI=1S/C14H11BrNO/c15-13-6-4-5-12(11-13)14(17)7-10-16-8-2-1-3-9-16/h1-11H/q+1
InChIK	VZKICWPZXGRIMD-UHFFFAOYSA-N
TotalMolweight	289.151
Molweight	289.151
MonoisotopicMass	288.0024
CLogP	-1.5374
CLogS	-3.237
H Acceptors	2
TotalSurfaceArea	193.2
Relative PSA	0.081781
PolarSurfaceArea	20.95
Druglikeness	-2.3182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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