(2E)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-benzylidene-4-hydroxybutanamide

Formula:C19H18N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-benzylidene-4-hydroxybutanamide is a drug-like molecule.

MolName	(2E)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-benzylidene-4-hydroxybutanamide
MolecularFormula	C19H18N2O4
Smiles	OCC/C(/C(N/N=C\c(cc1)cc2c1OCO2)=O)=C\c1ccccc1
InChI	InChI=1S/C19H18N2O4/c22-9-8-16(10-14-4-2-1-3-5-14)19(23)21-20-12-15-6-7-17-18(11-15)25-13-24-17/h1-7,10-12,22H,8-9,13H2,(H,21,23)
InChIK	KDXWMGZVPYYPRY-UHFFFAOYSA-N
TotalMolweight	338.362
Molweight	338.362
MonoisotopicMass	338.126658
CLogP	3.7763
CLogS	-4.689
H Acceptors	6
H Donors	2
TotalSurfaceArea	265.83
Relative PSA	0.25998
PolarSurfaceArea	80.15
Druglikeness	3.5921
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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