(E)-3-(3-nitrophenyl)-N-[8-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]octyl]prop-2-enamide

Formula:C26H30N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-N-[8-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]octyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-N-[8-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]octyl]prop-2-enamide
MolecularFormula	C26H30N4O6
Smiles	[O-][N+](c1cccc(/C=C/C(NCCCCCCCCNC(/C=C/c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O
InChI	InChI=1S/C26H30N4O6/c31-25(15-13-21-9-7-11-23(19-21)29(33)34)27-17-5-3-1-2-4-6-18-28-26(32)16-14-22-10-8-12-24(20-22)30(35)36/h7-16,19-20H,1-6,17-18H2,(H,27,31)(H,28,32)
InChIK	FPBAHBQNIIWNEG-UHFFFAOYSA-N
TotalMolweight	494.546
Molweight	494.546
MonoisotopicMass	494.216536
CLogP	3.5738
CLogS	-6.138
H Acceptors	10
H Donors	2
TotalSurfaceArea	401.86
Relative PSA	0.27333
PolarSurfaceArea	149.84
Druglikeness	-11.269
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.72222
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	15
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	18
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-3-(3-nitrophenyl)-N-[8-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]octyl]prop-2-enamide | 2 - (E)-3-(3-nitrophenyl)-N-[8-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]octyl]prop-2-enamide

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