4-[(3-bromophenyl)methoxy]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide
Formula:C21H15N2O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(3-bromophenyl)methoxy]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(3-bromophenyl)methoxy]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N2O2BrCl2 |
| Smiles | O=C(c(cc1)ccc1OCc1cccc(Br)c1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C21H15BrCl2N2O2/c22-16-4-1-3-14(11-16)13-28-17-9-7-15(8-10-17)21(27)26-25-12-18-19(23)5-2-6-20(18)24/h1-12H,13H2,(H,26,27) |
| InChIK | IHDCZHPGZYPUGC-UHFFFAOYSA-N |
| TotalMolweight | 478.172 |
| Molweight | 478.172 |
| MonoisotopicMass | 475.969393 |
| CLogP | 6.4869 |
| CLogS | -7.368 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 319.98 |
| Relative PSA | 0.14379 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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