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MCULE-2152186129
Compound
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| Name | File |
|---|---|
| SDF | MCULE-2152186129.sdf |
| SMILES | MCULE-2152186129.smiles |
| Standard InChI | MCULE-2152186129.inchi |
| InChIKey | MCULE-2152186129.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893069639 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-502716282 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.289 |
| logP | 3.3758 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 54.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.7167 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
