5-bromo-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-hydroxybenzamide
Formula:C12H8N2O2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C12H8N2O2Br2S |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\c(s1)ccc1Br)=O |
| InChI | InChI=1S/C12H8Br2N2O2S/c13-7-1-3-10(17)9(5-7)12(18)16-15-6-8-2-4-11(14)19-8/h1-6,17H,(H,16,18) |
| InChIK | QZOGZIMZJIEGGR-UHFFFAOYSA-N |
| TotalMolweight | 404.082 |
| Molweight | 404.082 |
| MonoisotopicMass | 401.86732 |
| CLogP | 4.3776 |
| CLogS | -5.12 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 226.54 |
| Relative PSA | 0.30666 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 2.2493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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