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P-888169657
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- InChI:
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| Name | File |
|---|---|
| SDF | P-888169657.sdf |
| SMILES | P-888169657.smiles |
| Standard InChI | P-888169657.inchi |
| InChIKey | P-888169657.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888169657 | Molnova | On demand | 98 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 581.272 |
| logP | 3.0604 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 156.7 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 117.9656 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 17 |
| Heteroatoms | 17 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
