(E)-3-(4-nitrophenyl)-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]naphthalen-2-yl]prop-2-enamide

Formula:C28H20N4O6 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-(4-nitrophenyl)-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]naphthalen-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]naphthalen-2-yl]prop-2-enamide
MolecularFormula	C28H20N4O6
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2cc3ccccc3cc2NC(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O
InChI	InChI=1S/C28H20N4O6/c33-27(15-9-19-5-11-23(12-6-19)31(35)36)29-25-17-21-3-1-2-4-22(21)18-26(25)30-28(34)16-10-20-7-13-24(14-8-20)32(37)38/h1-18H,(H,29,33)(H,30,34)
InChIK	WGWMQBRUKGLIGW-UHFFFAOYSA-N
TotalMolweight	508.489
Molweight	508.489
MonoisotopicMass	508.138286
CLogP	3.9642
CLogS	-7.906
H Acceptors	10
H Donors	2
TotalSurfaceArea	386.14
Relative PSA	0.28446
PolarSurfaceArea	149.84
Druglikeness	-5.5383
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	21
Amides	2
AcidicOxygens	2
StereoCon

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