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

Formula:C13H10N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C13H10N5O5
Smiles	[O-]C(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)/p-1
InChIK	REHQOEYTCGUGMB-UHFFFAOYSA-M
TotalMolweight	316.252
Molweight	316.252
MonoisotopicMass	316.068195
CLogP	-2.1173
CLogS	-3.374
H Acceptors	10
H Donors	3
TotalSurfaceArea	234.16
Relative PSA	0.52887
PolarSurfaceArea	152.15
Druglikeness	7.0893
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

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments