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UNKNOWN STEREO
MCULE-2024003305
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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2
MCULE-1660818940
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2024003305.sdf |
| SMILES | MCULE-2024003305.smiles |
| Standard InChI | MCULE-2024003305.inchi |
| InChIKey | MCULE-2024003305.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 768.808 |
| logP | 0.1216 |
| H-bond acceptors | 20 |
| H-bond donors | 10 |
| Rotatable bonds | 21 |
| PSA | 281.18 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 197.984 |
| Atoms | 106 |
| Rings | 4 |
| Heavy atoms | 54 |
| Hydrogen atoms | 52 |
| Heteroatoms | 20 |
| N/O atoms | 20 |
| 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 |
