N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-bromophenoxy)acetamide
Formula:C23H17N3O3Br2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-bromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-bromophenoxy)acetamide |
| MolecularFormula | C23H17N3O3Br2 |
| Smiles | N#Cc1c(COc(ccc(/C=N\NC(COc(cc2)ccc2Br)=O)c2)c2Br)cccc1 |
| InChI | InChI=1S/C23H17Br2N3O3/c24-19-6-8-20(9-7-19)30-15-23(29)28-27-13-16-5-10-22(21(25)11-16)31-14-18-4-2-1-3-17(18)12-26/h1-11,13H,14-15H2,(H,28,29) |
| InChIK | IITGPVIKDVJBIL-UHFFFAOYSA-N |
| TotalMolweight | 543.214 |
| Molweight | 543.214 |
| MonoisotopicMass | 540.963664 |
| CLogP | 5.4106 |
| CLogS | -7.283 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 353.24 |
| Relative PSA | 0.19695 |
| PolarSurfaceArea | 83.71 |
| Druglikeness | -1.8734 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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