(E)-1-(4-bromophenyl)-3-(3-chloropyridin-1-ium-1-yl)prop-2-en-1-one

Formula:C14H10NOBrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-bromophenyl)-3-(3-chloropyridin-1-ium-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-bromophenyl)-3-(3-chloropyridin-1-ium-1-yl)prop-2-en-1-one
MolecularFormula	C14H10NOBrCl
Smiles	O=C(/C=C/[n+]1cc(Cl)ccc1)c(cc1)ccc1Br
InChI	InChI=1S/C14H10BrClNO/c15-12-5-3-11(4-6-12)14(18)7-9-17-8-1-2-13(16)10-17/h1-10H/q+1
InChIK	NSUQHZHHIWCVFF-UHFFFAOYSA-N
TotalMolweight	323.596
Molweight	323.596
MonoisotopicMass	321.963427
CLogP	-0.9314
CLogS	-3.973
H Acceptors	2
TotalSurfaceArea	208.62
Relative PSA	0.075736
PolarSurfaceArea	20.95
Druglikeness	-2.2097
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
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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