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MCULE-1736805993-0
Structure
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- InChIKey:
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- InChI:
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MCULE-3563569098-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1736805993-0.sdf |
| SMILES | MCULE-1736805993-0.smiles |
| Standard InChI | MCULE-1736805993-0.inchi |
| InChIKey | MCULE-1736805993-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596773387 | Synthonix | In-stock Building Blocks | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 411.576 |
| logP | 5.3811 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 11 |
| PSA | 49.77 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 124.4878 |
| Atoms | 67 |
| Rings | 2 |
| Heavy atoms | 30 |
| Hydrogen atoms | 37 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 1 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
