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

Formula:C21H20N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
MolecularFormula	C21H20N4O6
Smiles	[O-][N+](c1cccc(/C=C/C(NCCCNC(/C=C/c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O
InChI	InChI=1S/C21H20N4O6/c26-20(10-8-16-4-1-6-18(14-16)24(28)29)22-12-3-13-23-21(27)11-9-17-5-2-7-19(15-17)25(30)31/h1-2,4-11,14-15H,3,12-13H2,(H,22,26)(H,23,27)
InChIK	OZQFYXSZJUBMRC-UHFFFAOYSA-N
TotalMolweight	424.412
Molweight	424.412
MonoisotopicMass	424.138286
CLogP	1.3018
CLogS	-4.788
H Acceptors	10
H Donors	2
TotalSurfaceArea	333.06
Relative PSA	0.32979
PolarSurfaceArea	149.84
Druglikeness	-4.4588
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	15
Amides	2
AcidicOxygens	2
StereoCon

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