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UNKNOWN STEREO
MCULE-5153765876
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-2974250853
- Component type: Main
-
1
MCULE-2809467532
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5153765876.sdf |
| SMILES | MCULE-5153765876.smiles |
| Standard InChI | MCULE-5153765876.inchi |
| InChIKey | MCULE-5153765876.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 585.640 |
| logP | 3.0907 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 171.85 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 152.3363 |
| Atoms | 81 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 39 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| 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 |
