N,N'-bis[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]oxamide

Formula:C20H16N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high N,N'-bis[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]oxamide is a drug-like molecule.

MolName	N,N'-bis[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]oxamide
MolecularFormula	C20H16N6O4
Smiles	N#CCOc1c(/C=N\NC(C(N/N=C\c(cccc2)c2OCC#N)=O)=O)cccc1
InChI	InChI=1S/C20H16N6O4/c21-9-11-29-17-7-3-1-5-15(17)13-23-25-19(27)20(28)26-24-14-16-6-2-4-8-18(16)30-12-10-22/h1-8,13-14H,11-12H2,(H,25,27)(H,26,28)
InChIK	GPROCARKECTGLX-UHFFFAOYSA-N
TotalMolweight	404.385
Molweight	404.385
MonoisotopicMass	404.123304
CLogP	1.7022
CLogS	-5.05
H Acceptors	10
H Donors	2
TotalSurfaceArea	331.9
Relative PSA	0.35896
PolarSurfaceArea	148.96
Druglikeness	-1.3445
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	15
StereoCon

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