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MCULE-7190237738
Compound
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-7190237738.sdf |
| SMILES | MCULE-7190237738.smiles |
| Standard InChI | MCULE-7190237738.inchi |
| InChIKey | MCULE-7190237738.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892980111 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-492227068 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502903943 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-869017935 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-33971398 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502387168 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.523 |
| logP | 4.0753 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 68.54 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 52.4664 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 4 |
| Heteroatoms | 7 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
