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

Formula:C28H20N4O7 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C28H20N4O7
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c(cc2)cc3c2OCO3)=O)o1)=O
InChI	InChI=1S/C28H20N4O7/c33-27(19-6-2-1-3-7-19)30-22(14-18-10-12-25-26(15-18)38-17-37-25)28(34)31-29-16-20-11-13-24(39-20)21-8-4-5-9-23(21)32(35)36/h1-16H,17H2,(H,30,33)(H,31,34)
InChIK	CNTSVHOAXHNFCI-UHFFFAOYSA-N
TotalMolweight	524.488
Molweight	524.488
MonoisotopicMass	524.133201
CLogP	4.947
CLogS	-8.097
H Acceptors	11
H Donors	2
TotalSurfaceArea	394.05
Relative PSA	0.31732
PolarSurfaceArea	147.98
Druglikeness	2.9539
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
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-[[5-(2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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