2-(azepan-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxoacetamide
Formula:C15H17N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxoacetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxoacetamide |
| MolecularFormula | C15H17N3O2ClF |
| Smiles | O=C(C(N1CCCCCC1)=O)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C15H17ClFN3O2/c16-12-6-5-7-13(17)11(12)10-18-19-14(21)15(22)20-8-3-1-2-4-9-20/h5-7,10H,1-4,8-9H2,(H,19,21) |
| InChIK | XNAKUXDXBISHQG-UHFFFAOYSA-N |
| TotalMolweight | 325.77 |
| Molweight | 325.77 |
| MonoisotopicMass | 325.099332 |
| CLogP | 2.8835 |
| CLogS | -3.932 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.11 |
| Relative PSA | 0.21373 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -0.2791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(azepan-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxoacetamide | 2 - 2-(azepan-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxoacetamide
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