| MolName | 2-(2-fluoroanilino)-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide |
| MolecularFormula | C19H20N3OF |
| Smiles | O=C(CNc(cccc1)c1F)N/N=C(\CCCC1)/c2c1cccc2 |
| InChI | InChI=1S/C19H20FN3O/c20-16-10-4-6-12-18(16)21-13-19(24)23-22-17-11-5-2-8-14-7-1-3-9-15(14)17/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13H2,(H,23,24) |
| InChIK | XXNBVSGLRJDORY-UHFFFAOYSA-N |
| TotalMolweight | 325.386 |
| Molweight | 325.386 |
| MonoisotopicMass | 325.15904 |
| CLogP | 3.609 |
| CLogS | -5.076 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 258.31 |
| Relative PSA | 0.18377 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -2.5012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(2-fluoroanilino)-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide | 2 - 2-(2-fluoroanilino)-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide