4-[(E)-2-[4,6-diphenyl-1-(2-phenylethyl)pyridin-1-ium-2-yl]ethenyl]benzene-1,2-diol

Formula:C33H28NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[4,6-diphenyl-1-(2-phenylethyl)pyridin-1-ium-2-yl]ethenyl]benzene-1,2-diol is a drug-like molecule.

MolName	4-[(E)-2-[4,6-diphenyl-1-(2-phenylethyl)pyridin-1-ium-2-yl]ethenyl]benzene-1,2-diol
MolecularFormula	C33H28NO2
Smiles	Oc(ccc(/C=C/c1[n+](CCc2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1)c1)c1O
InChI	InChI=1S/C33H27NO2/c35-32-19-17-26(22-33(32)36)16-18-30-23-29(27-12-6-2-7-13-27)24-31(28-14-8-3-9-15-28)34(30)21-20-25-10-4-1-5-11-25/h1-19,22-24,36H,20-21H2/p+1
InChIK	BNODJMDTRPQQBM-UHFFFAOYSA-O
TotalMolweight	470.59
Molweight	470.59
MonoisotopicMass	470.212004
CLogP	3.412
CLogS	-7.056
H Acceptors	3
H Donors	2
TotalSurfaceArea	376.32
Relative PSA	0.076956
PolarSurfaceArea	44.34
Druglikeness	-2.0837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41667
Fragments	1
Non HAtoms	36
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	4
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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