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MCULE-9283641647
Compound
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| Name | File |
|---|---|
| SDF | MCULE-9283641647.sdf |
| SMILES | MCULE-9283641647.smiles |
| Standard InChI | MCULE-9283641647.inchi |
| InChIKey | MCULE-9283641647.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-896056134 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-870646081 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 534.598 |
| logP | 4.3342 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 157.33 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 139.6229 |
| Atoms | 76 |
| Rings | 2 |
| Heavy atoms | 38 |
| Hydrogen atoms | 38 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
