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UNKNOWN STEREO
MCULE-6757371476
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-2651392266
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6757371476.sdf |
| SMILES | MCULE-6757371476.smiles |
| Standard InChI | MCULE-6757371476.inchi |
| InChIKey | MCULE-6757371476.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869174365 | 95 | As a main component | unavailable |
| P-888664557 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1022.219 |
| logP | 3.1236 |
| H-bond acceptors | 19 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 256.5 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 296.4446 |
| Atoms | 140 |
| Rings | 8 |
| Heavy atoms | 73 |
| Hydrogen atoms | 67 |
| Heteroatoms | 20 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| 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 |
