N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide
Formula:C21H24N3O2P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide is a drug-like molecule.
| MolName | N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide |
| MolecularFormula | C21H24N3O2P |
| Smiles | O=C(CP(c1ccccc1)(c1ccccc1)=O)N/N=C1/C(CC2)CCN2C1 |
| InChI | InChI=1S/C21H24N3O2P/c25-21(23-22-20-15-24-13-11-17(20)12-14-24)16-27(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,25) |
| InChIK | CUWNHKJBXCRJQP-UHFFFAOYSA-N |
| TotalMolweight | 381.415 |
| Molweight | 381.415 |
| MonoisotopicMass | 381.160614 |
| CLogP | 3.0439 |
| CLogS | -4.33 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.33 |
| Relative PSA | 0.19692 |
| PolarSurfaceArea | 71.58 |
| Druglikeness | -6.5567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide | 2 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-diphenylphosphorylacetamide
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