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

Formula:C12H9N6O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-nitrophenolate is not a drug-like molecule.

MolName	4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-nitrophenolate
MolecularFormula	C12H9N6O6S
Smiles	[O-]c(ccc(/C=N\NC(CSC(C(N1)=O)=NNC1=O)=O)c1)c1[N+]([O-])=O
InChI	InChI=1S/C12H10N6O6S/c19-8-2-1-6(3-7(8)18(23)24)4-13-15-9(20)5-25-11-10(21)14-12(22)17-16-11/h1-4,19H,5H2,(H,15,20)(H2,14,17,21,22)/p-1
InChIK	PJRLFSPWYDHYGI-UHFFFAOYSA-M
TotalMolweight	365.305
Molweight	365.305
MonoisotopicMass	365.030429
CLogP	-2.7468
CLogS	-3.09
H Acceptors	12
H Donors	3
TotalSurfaceArea	257.57
Relative PSA	0.61618
PolarSurfaceArea	206.2
Druglikeness	1.8552
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
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]-2-nitrophenolate | 2 - 4-[(Z)-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-nitrophenolate

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