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UNKNOWN STEREO
MCULE-9331755535
Compound
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- InChIKey:
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | MCULE-9331755535.sdf |
| SMILES | MCULE-9331755535.smiles |
| Standard InChI | MCULE-9331755535.inchi |
| InChIKey | MCULE-9331755535.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-611354370 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 688.758 |
| logP | 3.8023 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 165.89 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 181.4136 |
| Atoms | 94 |
| Rings | 6 |
| Heavy atoms | 50 |
| Hydrogen atoms | 44 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 8 |
| 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 |
