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UNKNOWN STEREO
P-892295050
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-892295050.sdf |
| SMILES | P-892295050.smiles |
| Standard InChI | P-892295050.inchi |
| InChIKey | P-892295050.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892295050 | TargetMol | In Stock BB | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 570.644 |
| logP | 1.3392 |
| H-bond acceptors | 14 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 273.51 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 137.8636 |
| Atoms | 68 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 30 |
| Heteroatoms | 16 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 5 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
