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UNKNOWN STEREO
P-890850103
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-890850103.sdf |
| SMILES | P-890850103.smiles |
| Standard InChI | P-890850103.inchi |
| InChIKey | P-890850103.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890850103 | Innovapharm | Building Blocks | 95 | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 608.164 |
| logP | 7.6133 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 12 |
| PSA | 98.55 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 170.7033 |
| Atoms | 77 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 35 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
