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MCULE-1881108150
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-1532085859
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1881108150.sdf |
| SMILES | MCULE-1881108150.smiles |
| Standard InChI | MCULE-1881108150.inchi |
| InChIKey | MCULE-1881108150.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489179756 | 97 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 255.267 |
| logP | 2.4942 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 79.98 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.2408 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
