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MCULE-3685946559
Compound
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-3685946559.sdf |
| SMILES | MCULE-3685946559.smiles |
| Standard InChI | MCULE-3685946559.inchi |
| InChIKey | MCULE-3685946559.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888171529 | Molnova | On demand | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 756.908 |
| logP | 5.3886 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 17 |
| PSA | 184.74 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 210.1824 |
| Atoms | 102 |
| Rings | 6 |
| Heavy atoms | 54 |
| Hydrogen atoms | 48 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
