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MCULE-3361580849-1
Structure
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- InChIKey:
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-3361580849-1.sdf |
| SMILES | MCULE-3361580849-1.smiles |
| Standard InChI | MCULE-3361580849-1.inchi |
| InChIKey | MCULE-3361580849-1.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1304.525 |
| logP | 1.5852 |
| H-bond acceptors | 32 |
| H-bond donors | 15 |
| Rotatable bonds | 39 |
| PSA | 551.96 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 351.2517 |
| Atoms | 181 |
| Rings | 7 |
| Heavy atoms | 92 |
| Hydrogen atoms | 89 |
| Heteroatoms | 33 |
| N/O atoms | 32 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 12 |
| 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 |
