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

Formula:C13H11N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C13H11N5O5
Smiles	OC(c1ccc(/C=N\NC(CC(C(N2)=O)=NNC2=O)=O)cc1)=O
InChI	InChI=1S/C13H11N5O5/c19-10(5-9-11(20)15-13(23)18-16-9)17-14-6-7-1-3-8(4-2-7)12(21)22/h1-4,6H,5H2,(H,17,19)(H,21,22)(H2,15,18,20,23)
InChIK	REHQOEYTCGUGMB-UHFFFAOYSA-N
TotalMolweight	317.26
Molweight	317.26
MonoisotopicMass	317.07602
CLogP	-0.0413
CLogS	-3.374
H Acceptors	10
H Donors	4
TotalSurfaceArea	232.98
Relative PSA	0.52648
PolarSurfaceArea	149.32
Druglikeness	6.9111
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
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)acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetyl]hydrazinylidene]methyl]benzoic acid

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