2-[2-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetate
Formula:C11H10N3O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C11H10N3O5 |
| Smiles | NC(C(N/N=C\c(cccc1)c1OCC([O-])=O)=O)=O |
| InChI | InChI=1S/C11H11N3O5/c12-10(17)11(18)14-13-5-7-3-1-2-4-8(7)19-6-9(15)16/h1-5H,6H2,(H2,12,17)(H,14,18)(H,15,16)/p-1 |
| InChIK | KIMWLMNBWKOTAW-UHFFFAOYSA-M |
| TotalMolweight | 264.216 |
| Molweight | 264.216 |
| MonoisotopicMass | 264.062047 |
| CLogP | -2.9323 |
| CLogS | -1.895 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 202.54 |
| Relative PSA | 0.50183 |
| PolarSurfaceArea | 133.91 |
| Druglikeness | 2.1788 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetate
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