N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
Formula:C24H14N2OClF5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline |
| MolecularFormula | C24H14N2OClF5 |
| Smiles | Fc(c(N/N=C\c(c1ccccc1cc1)c1OCc(cccc1)c1Cl)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C24H14ClF5N2O/c25-17-8-4-2-6-14(17)12-33-18-10-9-13-5-1-3-7-15(13)16(18)11-31-32-24-22(29)20(27)19(26)21(28)23(24)30/h1-11,32H,12H2 |
| InChIK | GBPYOVYKGZUALW-UHFFFAOYSA-N |
| TotalMolweight | 476.831 |
| Molweight | 476.831 |
| MonoisotopicMass | 476.07148 |
| CLogP | 8.4934 |
| CLogS | -8.402 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 334.53 |
| Relative PSA | 0.098556 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 0.3325 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline | 2 - N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off