N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
Formula:C20H11N2OCl2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,4,5,6-pentafluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,4,5,6-pentafluoroaniline |
| MolecularFormula | C20H11N2OCl2F5 |
| Smiles | Fc(c(N/N=C\c(cccc1)c1OCc(ccc(Cl)c1)c1Cl)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C20H11Cl2F5N2O/c21-12-6-5-11(13(22)7-12)9-30-14-4-2-1-3-10(14)8-28-29-20-18(26)16(24)15(23)17(25)19(20)27/h1-8,29H,9H2 |
| InChIK | DQDZSBVEPVAOCY-UHFFFAOYSA-N |
| TotalMolweight | 461.216 |
| Molweight | 461.216 |
| MonoisotopicMass | 460.016857 |
| CLogP | 7.905 |
| CLogS | -7.532 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 315.35 |
| Relative PSA | 0.10455 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 0.3325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,4,5,6-pentafluoroaniline | 2 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
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