2-(3-fluorophenoxy)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide
Formula:C14H15N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-fluorophenoxy)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide is a drug-like molecule.
| MolName | 2-(3-fluorophenoxy)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide |
| MolecularFormula | C14H15N2O3F |
| Smiles | O=C(COc1cccc(F)c1)N/N=C(\CCC1)/CC1=O |
| InChI | InChI=1S/C14H15FN2O3/c15-10-3-1-6-13(7-10)20-9-14(19)17-16-11-4-2-5-12(18)8-11/h1,3,6-7H,2,4-5,8-9H2,(H,17,19) |
| InChIK | APFOBLTWFBVAQI-UHFFFAOYSA-N |
| TotalMolweight | 278.282 |
| Molweight | 278.282 |
| MonoisotopicMass | 278.106671 |
| CLogP | 1.9196 |
| CLogS | -3.329 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 214.84 |
| Relative PSA | 0.27486 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -2.4152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - 2-(3-fluorophenoxy)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide | 2 - 2-(3-fluorophenoxy)-N-[(E)-(3-oxocyclohexylidene)amino]acetamide
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