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

Formula:C13H12N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]propanamide is not a drug-like molecule.

MolName	3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]propanamide
MolecularFormula	C13H12N6O5
Smiles	[O-][N+](c1c(/C=N\NC(CCC(C(N2)=O)=NNC2=O)=O)cccc1)=O
InChI	InChI=1S/C13H12N6O5/c20-11(6-5-9-12(21)15-13(22)18-16-9)17-14-7-8-3-1-2-4-10(8)19(23)24/h1-4,7H,5-6H2,(H,17,20)(H2,15,18,21,22)
InChIK	MVPJGKIBTHQHRB-UHFFFAOYSA-N
TotalMolweight	332.275
Molweight	332.275
MonoisotopicMass	332.086919
CLogP	0.0064
CLogS	-4.091
H Acceptors	11
H Donors	3
TotalSurfaceArea	246.31
Relative PSA	0.51537
PolarSurfaceArea	157.84
Druglikeness	0.86151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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