(E)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

Formula:C19H17N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
MolecularFormula	C19H17N3O4
Smiles	O=C(CNC(/C=C/c1ccccc1)=O)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C19H17N3O4/c23-18(9-7-14-4-2-1-3-5-14)20-12-19(24)22-21-11-15-6-8-16-17(10-15)26-13-25-16/h1-11H,12-13H2,(H,20,23)(H,22,24)
InChIK	TUEPCZVHHCOXMQ-UHFFFAOYSA-N
TotalMolweight	351.361
Molweight	351.361
MonoisotopicMass	351.121907
CLogP	2.7259
CLogS	-4.569
H Acceptors	7
H Donors	2
TotalSurfaceArea	276.72
Relative PSA	0.29094
PolarSurfaceArea	89.02
Druglikeness	3.8655
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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1 - (E)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

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