5-chloro-2-hydroxy-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C12H9N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-chloro-2-hydroxy-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 5-chloro-2-hydroxy-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C12H9N2O2ClS |
| Smiles | Oc(ccc(Cl)c1)c1C(N/N=C\c1cscc1)=O |
| InChI | InChI=1S/C12H9ClN2O2S/c13-9-1-2-11(16)10(5-9)12(17)15-14-6-8-3-4-18-7-8/h1-7,16H,(H,15,17) |
| InChIK | MBNVIPGOWSNJSI-UHFFFAOYSA-N |
| TotalMolweight | 280.734 |
| Molweight | 280.734 |
| MonoisotopicMass | 280.007325 |
| CLogP | 3.2463 |
| CLogS | -4.061 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 204.7 |
| Relative PSA | 0.33937 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 4.9271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| 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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