N-[(E)-1-(4-nitrophenyl)-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C25H19N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-nitrophenyl)-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(4-nitrophenyl)-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C25H19N5O6
Smiles	[O-][N+](c1ccc(/C=C(\C(N/N=C\C=C\c(cccc2)c2[N+]([O-])=O)=O)/NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C25H19N5O6/c31-24(20-8-2-1-3-9-20)27-22(17-18-12-14-21(15-13-18)29(33)34)25(32)28-26-16-6-10-19-7-4-5-11-23(19)30(35)36/h1-17H,(H,27,31)(H,28,32)
InChIK	HRIIGAYNVHHCKT-UHFFFAOYSA-N
TotalMolweight	485.455
Molweight	485.455
MonoisotopicMass	485.133535
CLogP	2.9934
CLogS	-6.678
H Acceptors	11
H Donors	2
TotalSurfaceArea	374.51
Relative PSA	0.32402
PolarSurfaceArea	162.2
Druglikeness	1.307
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

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1 - N-[(E)-1-(4-nitrophenyl)-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(4-nitrophenyl)-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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