N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-3-chlorobenzamide
Formula:C22H18N2O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-3-chlorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-3-chlorobenzamide |
| MolecularFormula | C22H18N2O3BrCl |
| Smiles | O=C(c1cc(Cl)ccc1)N/N=C\c1cccc(OCCOc(cc2)ccc2Br)c1 |
| InChI | InChI=1S/C22H18BrClN2O3/c23-18-7-9-20(10-8-18)28-11-12-29-21-6-1-3-16(13-21)15-25-26-22(27)17-4-2-5-19(24)14-17/h1-10,13-15H,11-12H2,(H,26,27) |
| InChIK | QWEUSXAHPSLYQO-UHFFFAOYSA-N |
| TotalMolweight | 473.753 |
| Molweight | 473.753 |
| MonoisotopicMass | 472.018931 |
| CLogP | 5.8878 |
| CLogS | -6.559 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 328.32 |
| Relative PSA | 0.1706 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -4.6186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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