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UNKNOWN STEREO
P-893256256
Product
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- InChIKey:
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- InChI:
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| Name | File |
|---|---|
| SDF | P-893256256.sdf |
| SMILES | P-893256256.smiles |
| Standard InChI | P-893256256.inchi |
| InChIKey | P-893256256.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893256256 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 3355.665 |
| logP | 1.4348 |
| H-bond acceptors | 87 |
| H-bond donors | 50 |
| Rotatable bonds | 141 |
| PSA | 1408.4 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 841.8768 |
| Atoms | 466 |
| Rings | 6 |
| Heavy atoms | 238 |
| Hydrogen atoms | 228 |
| Heteroatoms | 87 |
| N/O atoms | 87 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 30 |
| R/S chiral centers | 30 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
