3-hydroxy-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
Formula:C14H9N2O3Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-hydroxy-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N2O3Br3 |
| Smiles | Oc1cccc(C(N/N=C\c(c(Br)c(c(Br)c2)O)c2Br)=O)c1 |
| InChI | InChI=1S/C14H9Br3N2O3/c15-10-5-11(16)13(21)12(17)9(10)6-18-19-14(22)7-2-1-3-8(20)4-7/h1-6,20-21H,(H,19,22) |
| InChIK | NJVVXYVVBPYDNJ-UHFFFAOYSA-N |
| TotalMolweight | 492.948 |
| Molweight | 492.948 |
| MonoisotopicMass | 489.816326 |
| CLogP | 4.6858 |
| CLogS | -5.631 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 255.58 |
| Relative PSA | 0.24341 |
| PolarSurfaceArea | 81.92 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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