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MCULE-4468724785
Compound
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| Name | File |
|---|---|
| SDF | MCULE-4468724785.sdf |
| SMILES | MCULE-4468724785.smiles |
| Standard InChI | MCULE-4468724785.inchi |
| InChIKey | MCULE-4468724785.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-870652241 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-854968177 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 393.689 |
| logP | 3.8397 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 71.31 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 96.228 |
| Atoms | 32 |
| Rings | 4 |
| Heavy atoms | 22 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
