4-bromo-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]aniline
Formula:C21H19N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]aniline |
| MolecularFormula | C21H19N2O2Br |
| Smiles | Brc(cc1)ccc1N/N=C\c(cc1)ccc1OCCOc1ccccc1 |
| InChI | InChI=1S/C21H19BrN2O2/c22-18-8-10-19(11-9-18)24-23-16-17-6-12-21(13-7-17)26-15-14-25-20-4-2-1-3-5-20/h1-13,16,24H,14-15H2 |
| InChIK | FKLMHGUIVYNFIA-UHFFFAOYSA-N |
| TotalMolweight | 411.298 |
| Molweight | 411.298 |
| MonoisotopicMass | 410.062989 |
| CLogP | 6.9211 |
| CLogS | -5.251 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.15 |
| Relative PSA | 0.14559 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | -7.0412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]aniline | 2 - 4-bromo-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]aniline
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