2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
Formula:C9H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide |
| MolecularFormula | C9H9N3OS |
| Smiles | N/C(/Cc1nc(cccc2)c2s1)=N/O |
| InChI | InChI=1S/C9H9N3OS/c10-8(12-13)5-9-11-6-3-1-2-4-7(6)14-9/h1-4,13H,5H2,(H2,10,12) |
| InChIK | YKIOTVXPLPMYSQ-UHFFFAOYSA-N |
| TotalMolweight | 207.256 |
| Molweight | 207.256 |
| MonoisotopicMass | 207.046632 |
| CLogP | 1.3736 |
| CLogS | -2.309 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 154.16 |
| Relative PSA | 0.46192 |
| PolarSurfaceArea | 99.74 |
| Druglikeness | 0.55898 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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