3,5-dibromo-N-[(Z)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
Formula:C14H9N2O2Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3,5-dibromo-N-[(Z)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide is not a drug-like molecule.
| MolName | 3,5-dibromo-N-[(Z)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C14H9N2O2Br3 |
| Smiles | Oc(c(C(N/N=C\c(cc1)ccc1Br)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C14H9Br3N2O2/c15-9-3-1-8(2-4-9)7-18-19-14(21)11-5-10(16)6-12(17)13(11)20/h1-7,20H,(H,19,21) |
| InChIK | ASQQPAZYMPSHPN-UHFFFAOYSA-N |
| TotalMolweight | 476.949 |
| Molweight | 476.949 |
| MonoisotopicMass | 473.821411 |
| CLogP | 5.0315 |
| CLogS | -5.927 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 249.23 |
| Relative PSA | 0.19705 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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