2-(azepan-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-oxoacetamide
Formula:C15H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-oxoacetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-oxoacetamide |
| MolecularFormula | C15H18N3O2F |
| Smiles | O=C(C(N1CCCCCC1)=O)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C15H18FN3O2/c16-13-8-4-3-7-12(13)11-17-18-14(20)15(21)19-9-5-1-2-6-10-19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,20) |
| InChIK | UBBUUGVVDUGWQP-UHFFFAOYSA-N |
| TotalMolweight | 291.325 |
| Molweight | 291.325 |
| MonoisotopicMass | 291.138305 |
| CLogP | 2.2775 |
| CLogS | -3.196 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 230.69 |
| Relative PSA | 0.22801 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -0.28946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-(azepan-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-oxoacetamide | 2 - 2-(azepan-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-oxoacetamide
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