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UNKNOWN STEREO
MCULE-3771229654-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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6
MCULE-8295936189-1
- Component type: Counter Ion
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1
MCULE-9886426064-0
- Component type: Unknown
-
1
MCULE-7064321412-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3771229654-0.sdf |
| SMILES | MCULE-3771229654-0.smiles |
| Standard InChI | MCULE-3771229654-0.inchi |
| InChIKey | MCULE-3771229654-0.txt |
| Property | Value |
|---|---|
| Components | 8 |
| Mass | 918.843 |
| logP | -1.4917 |
| H-bond acceptors | 27 |
| H-bond donors | 14 |
| Rotatable bonds | 6 |
| PSA | 481.42 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 211.1584 |
| Atoms | 121 |
| Rings | 4 |
| Heavy atoms | 63 |
| Hydrogen atoms | 58 |
| Heteroatoms | 27 |
| N/O atoms | 27 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
