1-[(1E)-1-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-1-ium

Formula:C15H13NCl Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-[(1E)-1-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-1-ium is a drug-like molecule.

MolName	1-[(1E)-1-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-1-ium
MolecularFormula	C15H13NCl
Smiles	C=C/C(/[n+]1ccccc1)=C\c(cccc1)c1Cl
InChI	InChI=1S/C15H13ClN/c1-2-14(17-10-6-3-7-11-17)12-13-8-4-5-9-15(13)16/h2-12H,1H2/q+1
InChIK	MUGRHTONFYIFGJ-UHFFFAOYSA-N
TotalMolweight	242.728
Molweight	242.728
MonoisotopicMass	242.073651
CLogP	0.3629
CLogS	-3.884
H Acceptors	1
TotalSurfaceArea	194.99
Relative PSA	0.014155
PolarSurfaceArea	3.88
Druglikeness	-4.1608
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	2
Electronegative Atoms	2
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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