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MCULE-6471774499
Compound
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| Name | File |
|---|---|
| SDF | MCULE-6471774499.sdf |
| SMILES | MCULE-6471774499.smiles |
| Standard InChI | MCULE-6471774499.inchi |
| InChIKey | MCULE-6471774499.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 910.063 |
| logP | 3.4954 |
| H-bond acceptors | 19 |
| H-bond donors | 8 |
| Rotatable bonds | 11 |
| PSA | 278.74 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 268.4848 |
| Atoms | 132 |
| Rings | 2 |
| Heavy atoms | 65 |
| Hydrogen atoms | 67 |
| Heteroatoms | 19 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
