N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-phenyloxamide

Formula:C16H13N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-phenyloxamide is a drug-like molecule.

MolName	N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-phenyloxamide
MolecularFormula	C16H13N3O4
Smiles	O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc1ccccc1
InChI	InChI=1S/C16H13N3O4/c20-15(18-12-4-2-1-3-5-12)16(21)19-17-9-11-6-7-13-14(8-11)23-10-22-13/h1-9H,10H2,(H,18,20)(H,19,21)
InChIK	LKPHWKXHZKXHDT-UHFFFAOYSA-N
TotalMolweight	311.296
Molweight	311.296
MonoisotopicMass	311.090607
CLogP	2.2553
CLogS	-4.236
H Acceptors	7
H Donors	2
TotalSurfaceArea	236.46
Relative PSA	0.34048
PolarSurfaceArea	89.02
Druglikeness	3.5702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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