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UNKNOWN STEREO
P-888641477
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-888641477.sdf |
| SMILES | P-888641477.smiles |
| Standard InChI | P-888641477.inchi |
| InChIKey | P-888641477.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888641477 | TargetMol | Screening Compounds - stock amount | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 406.797 |
| logP | 2.2627 |
| H-bond acceptors | 10 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 106.26 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.1468 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 16 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
