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UNKNOWN STEREO
MCULE-8347406069
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-7760129939
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8347406069.sdf |
| SMILES | MCULE-8347406069.smiles |
| Standard InChI | MCULE-8347406069.inchi |
| InChIKey | MCULE-8347406069.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505519023 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1449.248 |
| logP | 3.9326 |
| H-bond acceptors | 33 |
| H-bond donors | 19 |
| Rotatable bonds | 14 |
| PSA | 530.49 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 368.3263 |
| Atoms | 176 |
| Rings | 10 |
| Heavy atoms | 101 |
| Hydrogen atoms | 75 |
| Heteroatoms | 35 |
| N/O atoms | 33 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 18 |
| R/S chiral centers | 18 |
| 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 |
