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MCULE-4899023924
Compound
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- InChIKey:
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-4899023924.sdf |
| SMILES | MCULE-4899023924.smiles |
| Standard InChI | MCULE-4899023924.inchi |
| InChIKey | MCULE-4899023924.txt |
| Property | Value |
|---|---|
| Components | 6 |
| Mass | 1569.900 |
| logP | 22.7124 |
| H-bond acceptors | 13 |
| H-bond donors | 2 |
| Rotatable bonds | 28 |
| PSA | 241.9 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 431.8354 |
| Atoms | 213 |
| Rings | 8 |
| Heavy atoms | 104 |
| Hydrogen atoms | 109 |
| Heteroatoms | 25 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 8 |
| Chiral centers | 7 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 7 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
