| MolName | 2-[(4-fluorophenyl)methoxy]-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide |
| MolecularFormula | C25H23N2O2F |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1F)N/N=C(/CCCC1)\c2c1cccc2 |
| InChI | InChI=1S/C25H23FN2O2/c26-20-15-13-18(14-16-20)17-30-24-12-6-4-10-22(24)25(29)28-27-23-11-5-2-8-19-7-1-3-9-21(19)23/h1,3-4,6-7,9-10,12-16H,2,5,8,11,17H2,(H,28,29) |
| InChIK | YIDZFPGEWSFHLY-UHFFFAOYSA-N |
| TotalMolweight | 402.468 |
| Molweight | 402.468 |
| MonoisotopicMass | 402.174356 |
| CLogP | 5.6652 |
| CLogS | -6.595 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.61 |
| Relative PSA | 0.14532 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.5135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[(4-fluorophenyl)methoxy]-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide | 2 - 2-[(4-fluorophenyl)methoxy]-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide