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MCULE-4637480692
Compound
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MCULE-5615281474
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4637480692.sdf |
| SMILES | MCULE-4637480692.smiles |
| Standard InChI | MCULE-4637480692.inchi |
| InChIKey | MCULE-4637480692.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-870649621 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.136 |
| logP | -2.4228 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 146.49 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 45.4845 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
