4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide
Formula:C21H16N2O2BrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H16N2O2BrI |
| Smiles | O=C(c(cc1)ccc1OCc1cc(Br)ccc1)N/N=C\c(cc1)ccc1I |
| InChI | InChI=1S/C21H16BrIN2O2/c22-18-3-1-2-16(12-18)14-27-20-10-6-17(7-11-20)21(26)25-24-13-15-4-8-19(23)9-5-15/h1-13H,14H2,(H,25,26) |
| InChIK | WKFVRHZWQWKXNC-UHFFFAOYSA-N |
| TotalMolweight | 535.174 |
| Molweight | 535.174 |
| MonoisotopicMass | 533.943987 |
| CLogP | 5.712 |
| CLogS | -6.912 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.42 |
| Relative PSA | 0.14587 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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