2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide

Formula:C12H10N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C12H10N6O5
Smiles	[O-][N+](c1c(/C=N\NC(CC(C(N2)=O)=NNC2=O)=O)cccc1)=O
InChI	InChI=1S/C12H10N6O5/c19-10(5-8-11(20)14-12(21)17-15-8)16-13-6-7-3-1-2-4-9(7)18(22)23/h1-4,6H,5H2,(H,16,19)(H2,14,17,20,21)
InChIK	IVQFDCJBKFYWNV-UHFFFAOYSA-N
TotalMolweight	318.248
Molweight	318.248
MonoisotopicMass	318.071269
CLogP	-0.448
CLogS	-3.821
H Acceptors	11
H Donors	3
TotalSurfaceArea	232.55
Relative PSA	0.54586
PolarSurfaceArea	157.84
Druglikeness	1.9773
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide | 2 - 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide

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