N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide
Formula:C9H8N2O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide is a drug-like molecule.
| MolName | N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide |
| MolecularFormula | C9H8N2O2ClF |
| Smiles | OCC(N/N=C/c(c(F)ccc1)c1Cl)=O |
| InChI | InChI=1S/C9H8ClFN2O2/c10-7-2-1-3-8(11)6(7)4-12-13-9(15)5-14/h1-4,14H,5H2,(H,13,15) |
| InChIK | KQZBKRPKNVQONP-UHFFFAOYSA-N |
| TotalMolweight | 230.626 |
| Molweight | 230.626 |
| MonoisotopicMass | 230.025833 |
| CLogP | 1.5379 |
| CLogS | -3.094 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 169.11 |
| Relative PSA | 0.2904 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.3508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide | 2 - N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide
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