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

Formula:C28H21N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-(naphthalen-2-ylmethylidene)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-(naphthalen-2-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C28H21N3O4
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1cc2ccccc2cc1
InChI	InChI=1S/C28H21N3O4/c32-27(22-7-2-1-3-8-22)30-24(15-19-11-13-25-26(16-19)35-18-34-25)28(33)31-29-17-20-10-12-21-6-4-5-9-23(21)14-20/h1-17H,18H2,(H,30,32)(H,31,33)
InChIK	XGNVHZJZQZQELI-UHFFFAOYSA-N
TotalMolweight	463.492
Molweight	463.492
MonoisotopicMass	463.153207
CLogP	6.1241
CLogS	-7.783
H Acceptors	7
H Donors	2
TotalSurfaceArea	355.53
Relative PSA	0.22645
PolarSurfaceArea	89.02
Druglikeness	6.2698
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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