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UNKNOWN STEREO
P-892302001
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| Name | File |
|---|---|
| SDF | P-892302001.sdf |
| SMILES | P-892302001.smiles |
| Standard InChI | P-892302001.inchi |
| InChIKey | P-892302001.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892302001 | TargetMol | In Stock BB | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1416.461 |
| logP | 9.5401 |
| H-bond acceptors | 36 |
| H-bond donors | 23 |
| Rotatable bonds | 40 |
| PSA | 607.02 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 381.2592 |
| Atoms | 185 |
| Rings | 5 |
| Heavy atoms | 101 |
| Hydrogen atoms | 84 |
| Heteroatoms | 36 |
| N/O atoms | 33 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 13 |
| Cis/trans stereo double bonds | 9 |
| Unknown stereo double bonds | 4 |
| Undefined stereo double bonds | 0 |
