5-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
Formula:C21H16N2O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide is not a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C21H16N2O3BrCl |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl)=O |
| InChI | InChI=1S/C21H16BrClN2O3/c22-16-7-10-20(26)18(11-16)21(27)25-24-12-14-5-8-17(9-6-14)28-13-15-3-1-2-4-19(15)23/h1-12,26H,13H2,(H,25,27) |
| InChIK | WHPSUOPPGZHMFA-UHFFFAOYSA-N |
| TotalMolweight | 459.726 |
| Molweight | 459.726 |
| MonoisotopicMass | 458.003281 |
| CLogP | 5.5352 |
| CLogS | -6.336 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 310.91 |
| Relative PSA | 0.19012 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.2492 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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 | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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