N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2,4-difluoroaniline
Formula:C27H22N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2,4-difluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2,4-difluoroaniline |
| MolecularFormula | C27H22N2O2F2 |
| Smiles | Fc(cc1)cc(F)c1N/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C27H22F2N2O2/c28-23-12-13-25(24(29)16-23)31-30-17-22-11-14-26(32-18-20-7-3-1-4-8-20)27(15-22)33-19-21-9-5-2-6-10-21/h1-17,31H,18-19H2 |
| InChIK | FWYINJRNHDDJFT-UHFFFAOYSA-N |
| TotalMolweight | 444.48 |
| Molweight | 444.48 |
| MonoisotopicMass | 444.164934 |
| CLogP | 7.7387 |
| CLogS | -6.459 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 348.98 |
| Relative PSA | 0.12313 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | 0.28884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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