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UNKNOWN STEREO
P-904255579
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-904255579.sdf |
| SMILES | P-904255579.smiles |
| Standard InChI | P-904255579.inchi |
| InChIKey | P-904255579.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904255579 | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 2041.348 |
| logP | 2.9138 |
| H-bond acceptors | 49 |
| H-bond donors | 24 |
| Rotatable bonds | 73 |
| PSA | 752.51 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 536.5915 |
| Atoms | 294 |
| Rings | 6 |
| Heavy atoms | 145 |
| Hydrogen atoms | 149 |
| Heteroatoms | 49 |
| N/O atoms | 49 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
