4-amino-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C11H8N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C11H8N6O6
Smiles	Nc1nonc1C(N/N=C\c(cc1OCOc1c1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C11H8N6O6/c12-10-9(15-23-16-10)11(18)14-13-3-5-1-7-8(22-4-21-7)2-6(5)17(19)20/h1-3H,4H2,(H2,12,16)(H,14,18)
InChIK	DEZZFCNZMKCLAE-UHFFFAOYSA-N
TotalMolweight	320.221
Molweight	320.221
MonoisotopicMass	320.050534
CLogP	0.6308
CLogS	-3.76
H Acceptors	12
H Donors	2
TotalSurfaceArea	226.65
Relative PSA	0.60777
PolarSurfaceArea	170.68
Druglikeness	1.0522
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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