| MolName | N'-hydroxy-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidamide |
| MolecularFormula | C11H10N4O3S |
| Smiles | N/C(/Cc1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=N/O |
| InChI | InChI=1S/C11H10N4O3S/c12-10(14-16)5-11-13-9(6-19-11)7-2-1-3-8(4-7)15(17)18/h1-4,6,16H,5H2,(H2,12,14) |
| InChIK | GFNVUQSKXQZCBV-UHFFFAOYSA-N |
| TotalMolweight | 278.291 |
| Molweight | 278.291 |
| MonoisotopicMass | 278.047361 |
| CLogP | 1.0251 |
| CLogS | -3.313 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 202.99 |
| Relative PSA | 0.50067 |
| PolarSurfaceArea | 145.56 |
| Druglikeness | -2.8505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-hydroxy-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidamide | 2 - N'-hydroxy-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidamide