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UNKNOWN STEREO
MCULE-2089487139
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-4754873456
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2089487139.sdf |
| SMILES | MCULE-2089487139.smiles |
| Standard InChI | MCULE-2089487139.inchi |
| InChIKey | MCULE-2089487139.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 480.403 |
| logP | 0.4129 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 232.01 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 111.5943 |
| Atoms | 61 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 29 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
