2-[2-[(Z)-hydroxyiminomethyl]phenoxy]acetic acid
Formula:C9H9NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-hydroxyiminomethyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-hydroxyiminomethyl]phenoxy]acetic acid |
| MolecularFormula | C9H9NO4 |
| Smiles | OC(COc1c(/C=N\O)cccc1)=O |
| InChI | InChI=1S/C9H9NO4/c11-9(12)6-14-8-4-2-1-3-7(8)5-10-13/h1-5,13H,6H2,(H,11,12) |
| InChIK | KDKVFENTGYJSML-UHFFFAOYSA-N |
| TotalMolweight | 195.173 |
| Molweight | 195.173 |
| MonoisotopicMass | 195.053159 |
| CLogP | 1.2743 |
| CLogS | -2.108 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 152.23 |
| Relative PSA | 0.39907 |
| PolarSurfaceArea | 79.12 |
| Druglikeness | -0.32874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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