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

Formula:C12H11N7O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C12H11N7O5
Smiles	[O-][N+](c1cc(/C=N\NC(CNC(C(N2)=O)=NNC2=O)=O)ccc1)=O
InChI	InChI=1S/C12H11N7O5/c20-9(6-13-10-11(21)15-12(22)18-17-10)16-14-5-7-2-1-3-8(4-7)19(23)24/h1-5H,6H2,(H,13,17)(H,16,20)(H2,15,18,21,22)
InChIK	NFQQYWVXXRSFQG-UHFFFAOYSA-N
TotalMolweight	333.263
Molweight	333.263
MonoisotopicMass	333.082168
CLogP	-1.577
CLogS	-3.396
H Acceptors	12
H Donors	4
TotalSurfaceArea	244.01
Relative PSA	0.56719
PolarSurfaceArea	169.87
Druglikeness	1.7549
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	12
Electronegative Atoms	12
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)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

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