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

Formula:C18H14N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide is a drug-like molecule.

MolNameN,N'-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide
MolecularFormulaC18H14N4O6
SmilesO=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)N/N=C\c(cc1)cc2c1OCO2
InChIInChI=1S/C18H14N4O6/c23-17(21-19-7-11-1-3-13-15(5-11)27-9-25-13)18(24)22-20-8-12-2-4-14-16(6-12)28-10-26-14/h1-8H,9-10H2,(H,21,23)(H,22,24)
InChIKRQETWKWXXXICOJ-UHFFFAOYSA-N
TotalMolweight382.331
Molweight382.331
MonoisotopicMass382.091336
CLogP2.7612
CLogS-5.54
H Acceptors10
H Donors2
TotalSurfaceArea281.48
Relative PSA0.39797
PolarSurfaceArea119.84
Druglikeness3.1355
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.64286
Fragments1
Non HAtoms28
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms14
StereoCon

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