4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetyl]hydrazinylidene]methyl]benzoate

Formula:C13H11N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetyl]hydrazinylidene]methyl]benzoate is not a drug-like molecule.

MolName	4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C13H11N6O5
Smiles	[O-]C(c1ccc(/C=N\NC(CNC(C(N2)=O)=NNC2=O)=O)cc1)=O
InChI	InChI=1S/C13H12N6O5/c20-9(6-14-10-11(21)16-13(24)19-18-10)17-15-5-7-1-3-8(4-2-7)12(22)23/h1-5H,6H2,(H,14,18)(H,17,20)(H,22,23)(H2,16,19,21,24)/p-1
InChIK	BQXYGFYDLXYMHU-UHFFFAOYSA-M
TotalMolweight	331.267
Molweight	331.267
MonoisotopicMass	331.079094
CLogP	-3.2463
CLogS	-2.949
H Acceptors	11
H Donors	4
TotalSurfaceArea	245.62
Relative PSA	0.55085
PolarSurfaceArea	164.18
Druglikeness	6.8715
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetyl]hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetyl]hydrazinylidene]methyl]benzoate

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