N-(1,3-benzothiazol-2-yl)-2-[(Z)-benzylideneamino]oxyacetamide
Formula:C16H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzothiazol-2-yl)-2-[(Z)-benzylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(1,3-benzothiazol-2-yl)-2-[(Z)-benzylideneamino]oxyacetamide |
| MolecularFormula | C16H13N3O2S |
| Smiles | O=C(CO/N=C\c1ccccc1)Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C16H13N3O2S/c20-15(11-21-17-10-12-6-2-1-3-7-12)19-16-18-13-8-4-5-9-14(13)22-16/h1-10H,11H2,(H,18,19,20) |
| InChIK | MJQGRMQHNAMNIY-UHFFFAOYSA-N |
| TotalMolweight | 311.364 |
| Molweight | 311.364 |
| MonoisotopicMass | 311.072847 |
| CLogP | 4.0124 |
| CLogS | -4.56 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 240.05 |
| Relative PSA | 0.32218 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 2.5453 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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