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

Formula:C13H11N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C13H11N5O5S
Smiles	OC(c1ccc(/C=N\NC(CSC(C(N2)=O)=NNC2=O)=O)cc1)=O
InChI	InChI=1S/C13H11N5O5S/c19-9(6-24-11-10(20)15-13(23)18-17-11)16-14-5-7-1-3-8(4-2-7)12(21)22/h1-5H,6H2,(H,16,19)(H,21,22)(H2,15,18,20,23)
InChIK	PKIZLLUSFKSDHD-UHFFFAOYSA-N
TotalMolweight	349.326
Molweight	349.326
MonoisotopicMass	349.04809
CLogP	-0.4164
CLogS	-2.939
H Acceptors	10
H Donors	4
TotalSurfaceArea	250.47
Relative PSA	0.55955
PolarSurfaceArea	174.62
Druglikeness	6.7867
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	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
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)sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

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