| MolName | 2,2-bis(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide |
| MolecularFormula | C32H23N2O4Cl2F |
| Smiles | O=C(C(Oc(cc1)ccc1Cl)Oc(cc1)ccc1Cl)N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1F |
| InChI | InChI=1S/C32H23Cl2FN2O4/c33-23-8-14-26(15-9-23)40-32(41-27-16-10-24(34)11-17-27)31(38)37-36-19-29-28-4-2-1-3-22(28)7-18-30(29)39-20-21-5-12-25(35)13-6-21/h1-19,32H,20H2,(H,37,38) |
| InChIK | BRWVHMXIZAVKSI-UHFFFAOYSA-N |
| TotalMolweight | 589.449 |
| Molweight | 589.449 |
| MonoisotopicMass | 588.10189 |
| CLogP | 7.8695 |
| CLogS | -9.505 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 434.56 |
| Relative PSA | 0.1519 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.9922 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4878 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 5 |
| Symmetricatoms | 12 |
| StereoCon |
Click to Load Molecule:
1 - 2,2-bis(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide | 2 - 2,2-bis(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide