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UNKNOWN STEREO
MCULE-4955409695
Compound
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- InChIKey:
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- InChI:
- Formula:
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2
MCULE-2031417404
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4955409695.sdf |
| SMILES | MCULE-4955409695.smiles |
| Standard InChI | MCULE-4955409695.inchi |
| InChIKey | MCULE-4955409695.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 548.649 |
| logP | 4.2484 |
| H-bond acceptors | 12 |
| H-bond donors | 10 |
| Rotatable bonds | 8 |
| PSA | 228.42 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 141.2026 |
| Atoms | 77 |
| Rings | 2 |
| Heavy atoms | 37 |
| Hydrogen atoms | 40 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
