2-[4-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C11H11N3O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C11H11N3O5 |
| Smiles | NC(C(N/N=C\c(cc1)ccc1OCC(O)=O)=O)=O |
| InChI | InChI=1S/C11H11N3O5/c12-10(17)11(18)14-13-5-7-1-3-8(4-2-7)19-6-9(15)16/h1-5H,6H2,(H2,12,17)(H,14,18)(H,15,16) |
| InChIK | RQFGILKWHQCSFQ-UHFFFAOYSA-N |
| TotalMolweight | 265.224 |
| Molweight | 265.224 |
| MonoisotopicMass | 265.069872 |
| CLogP | -0.8563 |
| CLogS | -1.895 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 201.36 |
| Relative PSA | 0.49891 |
| PolarSurfaceArea | 131.08 |
| Druglikeness | 2.1619 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.73684 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-(oxamoylhydrazinylidene)methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off