2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,6-diphenyl-1-(2-phenylethyl)pyridin-1-ium

Formula:C34H28NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,6-diphenyl-1-(2-phenylethyl)pyridin-1-ium is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,6-diphenyl-1-(2-phenylethyl)pyridin-1-ium
MolecularFormula	C34H28NO2
Smiles	C(C[n+](c(-c1ccccc1)c1)c(/C=C/c(cc2)cc3c2OCO3)cc1-c1ccccc1)c1ccccc1
InChI	InChI=1S/C34H28NO2/c1-4-10-26(11-5-1)20-21-35-31(18-16-27-17-19-33-34(22-27)37-25-36-33)23-30(28-12-6-2-7-13-28)24-32(35)29-14-8-3-9-15-29/h1-19,22-24H,20-21,25H2/q+1
InChIK	FSRGOTVZKRXZAG-UHFFFAOYSA-N
TotalMolweight	482.601
Molweight	482.601
MonoisotopicMass	482.212004
CLogP	4.2148
CLogS	-8.359
H Acceptors	3
TotalSurfaceArea	383.88
Relative PSA	0.059289
PolarSurfaceArea	22.34
Druglikeness	-2.0416
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.40541
Fragments	1
Non HAtoms	37
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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1 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,6-diphenyl-1-(2-phenylethyl)pyridin-1-ium | 2 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,6-diphenyl-1-(2-phenylethyl)pyridin-1-ium

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