N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C25H20N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C25H20N4O6
Smiles	[O-][N+](c1ccc(/C=C(\C(N/N=C\c(cc2)cc3c2OCCO3)=O)/NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C25H20N4O6/c30-24(19-4-2-1-3-5-19)27-21(14-17-6-9-20(10-7-17)29(32)33)25(31)28-26-16-18-8-11-22-23(15-18)35-13-12-34-22/h1-11,14-16H,12-13H2,(H,27,30)(H,28,31)
InChIK	RZYCQZHRCLXHID-UHFFFAOYSA-N
TotalMolweight	472.456
Molweight	472.456
MonoisotopicMass	472.138286
CLogP	3.8755
CLogS	-6.108
H Acceptors	10
H Donors	2
TotalSurfaceArea	358.36
Relative PSA	0.30955
PolarSurfaceArea	134.84
Druglikeness	-5.8232
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

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