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

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

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C24H17N4O6Cl
Smiles	[O-][N+](c(cc(/C=N\NC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)=O)cc1)c1Cl)=O
InChI	InChI=1S/C24H17ClN4O6/c25-18-8-6-16(11-20(18)29(32)33)13-26-28-24(31)19(27-23(30)17-4-2-1-3-5-17)10-15-7-9-21-22(12-15)35-14-34-21/h1-13H,14H2,(H,27,30)(H,28,31)
InChIK	WAIVZCWUTAAYIZ-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	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.45714
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	2
Amides	1
AcidicOxygens	1
StereoCon

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

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