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UNKNOWN STEREO
MCULE-5728297983
Compound
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- InChIKey:
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- InChI:
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MCULE-7398936727
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5728297983.sdf |
| SMILES | MCULE-5728297983.smiles |
| Standard InChI | MCULE-5728297983.inchi |
| InChIKey | MCULE-5728297983.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580406419 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-505511308 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 219.235 |
| logP | -0.6524 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 106.86 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 52.2141 |
| Atoms | 32 |
| Rings | 0 |
| Heavy atoms | 15 |
| 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 |
