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

Formula:C24H18N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(2-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-[(2-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C24H18N4O6
Smiles	[O-][N+](c1c(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c(cc2)cc3c2OCO3)=O)cccc1)=O
InChI	InChI=1S/C24H18N4O6/c29-23(17-6-2-1-3-7-17)26-19(12-16-10-11-21-22(13-16)34-15-33-21)24(30)27-25-14-18-8-4-5-9-20(18)28(31)32/h1-14H,15H2,(H,26,29)(H,27,30)
InChIK	AYFIAIYCMQPESD-UHFFFAOYSA-N
TotalMolweight	458.429
Molweight	458.429
MonoisotopicMass	458.122636
CLogP	4.0081
CLogS	-6.637
H Acceptors	10
H Donors	2
TotalSurfaceArea	344.6
Relative PSA	0.32191
PolarSurfaceArea	134.84
Druglikeness	1.2041
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
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-[(2-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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