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MCULE-6463509030
Compound
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- InChIKey:
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- InChI:
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3
MCULE-7127620454
- Component type: Unknown
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1
MCULE-7128760083
- Component type: Unknown
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3
MCULE-9560339064
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6463509030.sdf |
| SMILES | MCULE-6463509030.smiles |
| Standard InChI | MCULE-6463509030.inchi |
| InChIKey | MCULE-6463509030.txt |
| Property | Value |
|---|---|
| Components | 7 |
| Mass | 1115.232 |
| logP | 1.7661 |
| H-bond acceptors | 27 |
| H-bond donors | 13 |
| Rotatable bonds | 17 |
| PSA | 403.1 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 294.8575 |
| Atoms | 157 |
| Rings | 6 |
| Heavy atoms | 79 |
| Hydrogen atoms | 78 |
| Heteroatoms | 27 |
| N/O atoms | 27 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
