N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxybenzamide
Formula:C12H9N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C12H9N2O2BrS |
| Smiles | Oc(cccc1)c1C(N/N=C\c1cc(Br)cs1)=O |
| InChI | InChI=1S/C12H9BrN2O2S/c13-8-5-9(18-7-8)6-14-15-12(17)10-3-1-2-4-11(10)16/h1-7,16H,(H,15,17) |
| InChIK | GWOCPOQHYCGGFA-UHFFFAOYSA-N |
| TotalMolweight | 325.185 |
| Molweight | 325.185 |
| MonoisotopicMass | 323.956809 |
| CLogP | 3.4477 |
| CLogS | -4.269 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 207.91 |
| Relative PSA | 0.33413 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 0.13996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxybenzamide
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