2-[2-chloro-4-[(Z)-hydroxyiminomethyl]phenoxy]acetate
Formula:C9H7NO4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-chloro-4-[(Z)-hydroxyiminomethyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-chloro-4-[(Z)-hydroxyiminomethyl]phenoxy]acetate |
| MolecularFormula | C9H7NO4Cl |
| Smiles | [O-]C(COc(ccc(/C=N\O)c1)c1Cl)=O |
| InChI | InChI=1S/C9H8ClNO4/c10-7-3-6(4-11-14)1-2-8(7)15-5-9(12)13/h1-4,14H,5H2,(H,12,13)/p-1 |
| InChIK | PRFCFWMEVHNNQN-UHFFFAOYSA-M |
| TotalMolweight | 228.611 |
| Molweight | 228.611 |
| MonoisotopicMass | 228.006361 |
| CLogP | -0.1957 |
| CLogS | -2.844 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 168.83 |
| Relative PSA | 0.36682 |
| PolarSurfaceArea | 81.95 |
| Druglikeness | -0.32612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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