5-bromo-2-hydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H17N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-2-hydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 5-bromo-2-hydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H17N2O3Br |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\c1cc(OCc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C21H17BrN2O3/c22-17-9-10-20(25)19(12-17)21(26)24-23-13-16-7-4-8-18(11-16)27-14-15-5-2-1-3-6-15/h1-13,25H,14H2,(H,24,26) |
| InChIK | BCYXJAYFZMGXOC-UHFFFAOYSA-N |
| TotalMolweight | 425.281 |
| Molweight | 425.281 |
| MonoisotopicMass | 424.042254 |
| CLogP | 4.9292 |
| CLogS | -5.6 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.49 |
| Relative PSA | 0.20004 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.2144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| 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 | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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