2-(4-nitrophenyl)-5-[(E)-2-(4-phenylphenyl)-1-pyridin-1-ium-1-ylethenyl]-1,3,4-oxadiazole

Formula:C27H19N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-nitrophenyl)-5-[(E)-2-(4-phenylphenyl)-1-pyridin-1-ium-1-ylethenyl]-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-(4-nitrophenyl)-5-[(E)-2-(4-phenylphenyl)-1-pyridin-1-ium-1-ylethenyl]-1,3,4-oxadiazole
MolecularFormula	C27H19N4O3
Smiles	[O-][N+](c(cc1)ccc1-c1nnc(/C(/[n+]2ccccc2)=C\c(cc2)ccc2-c2ccccc2)o1)=O
InChI	InChI=1S/C27H19N4O3/c32-31(33)24-15-13-23(14-16-24)26-28-29-27(34-26)25(30-17-5-2-6-18-30)19-20-9-11-22(12-10-20)21-7-3-1-4-8-21/h1-19H/q+1
InChIK	PPJMORTXYLHRAR-UHFFFAOYSA-N
TotalMolweight	447.473
Molweight	447.473
MonoisotopicMass	447.145716
CLogP	0.944
CLogS	-8.096
H Acceptors	7
TotalSurfaceArea	345.19
Relative PSA	0.20056
PolarSurfaceArea	88.62
Druglikeness	-4.4838
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-(4-nitrophenyl)-5-[(E)-2-(4-phenylphenyl)-1-pyridin-1-ium-1-ylethenyl]-1,3,4-oxadiazole | 2 - 2-(4-nitrophenyl)-5-[(E)-2-(4-phenylphenyl)-1-pyridin-1-ium-1-ylethenyl]-1,3,4-oxadiazole

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