2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
Formula:C15H13N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide |
| MolecularFormula | C15H13N3O2ClF |
| Smiles | N/C(/c1ccccc1)=N/OCC(Nc(cc1)cc(Cl)c1F)=O |
| InChI | InChI=1S/C15H13ClFN3O2/c16-12-8-11(6-7-13(12)17)19-14(21)9-22-20-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,21) |
| InChIK | NWUTUMWXCWKRGD-UHFFFAOYSA-N |
| TotalMolweight | 321.738 |
| Molweight | 321.738 |
| MonoisotopicMass | 321.068032 |
| CLogP | 3.0708 |
| CLogS | -4.408 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 239.25 |
| Relative PSA | 0.25613 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 1.2682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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