4-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-1-ium

Formula:C13H11NCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-1-ium is a drug-like molecule.

MolName	4-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-1-ium
MolecularFormula	C13H11NCl
Smiles	Clc1ccc(/C=C/c2cc[nH+]cc2)cc1
InChI	InChI=1S/C13H10ClN/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h1-10H/p+1
InChIK	PONMZBJRRLHVPF-UHFFFAOYSA-O
TotalMolweight	216.69
Molweight	216.69
MonoisotopicMass	216.058001
CLogP	1.4939
CLogS	-3.693
H Acceptors	1
H Donors	1
TotalSurfaceArea	162.73
PolarSurfaceArea	14.14
Druglikeness	-1.8244
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73333
Fragments	1
Non HAtoms	15
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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