N-[(E)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C24H17N4O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C24H17N4O6Cl
Smiles	[O-][N+](c1ccc(/C=C(\C(N/N=C\c(cc2OCOc2c2)c2Cl)=O)/NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C24H17ClN4O6/c25-19-12-22-21(34-14-35-22)11-17(19)13-26-28-24(31)20(27-23(30)16-4-2-1-3-5-16)10-15-6-8-18(9-7-15)29(32)33/h1-13H,14H2,(H,27,30)(H,28,31)
InChIK	FMNOCEBRAPEUDZ-UHFFFAOYSA-N
TotalMolweight	492.874
Molweight	492.874
MonoisotopicMass	492.083663
CLogP	4.6141
CLogS	-7.373
H Acceptors	10
H Donors	2
TotalSurfaceArea	360.02
Relative PSA	0.30812
PolarSurfaceArea	134.84
Druglikeness	1.2443
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[(E)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

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