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

Formula:C11H9N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[(3-oxo-2H-1,2,4-triazin-5-yl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[(3-oxo-2H-1,2,4-triazin-5-yl)hydrazinylidene]methyl]benzoic acid
MolecularFormula	C11H9N5O3
Smiles	OC(c1ccc(/C=N\NC(C=NN2)=NC2=O)cc1)=O
InChI	InChI=1S/C11H9N5O3/c17-10(18)8-3-1-7(2-4-8)5-12-15-9-6-13-16-11(19)14-9/h1-6H,(H,17,18)(H2,14,15,16,19)
InChIK	TUQXTUGXLNBMRJ-UHFFFAOYSA-N
TotalMolweight	259.224
Molweight	259.224
MonoisotopicMass	259.07054
CLogP	0.4282
CLogS	-3.479
H Acceptors	8
H Donors	3
TotalSurfaceArea	197.02
Relative PSA	0.49046
PolarSurfaceArea	115.51
Druglikeness	3.5317
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-[(3-oxo-2H-1,2,4-triazin-5-yl)hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[(3-oxo-2H-1,2,4-triazin-5-yl)hydrazinylidene]methyl]benzoic acid

Request More Details | 4-[(Z)-[(3-oxo-2H-1,2,4-triazin-5-yl)hydrazinylidene]methyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments