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UNKNOWN STEREO
MCULE-5905340870-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-1504889908-1
- Component type: Counter Ion
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1
MCULE-1256550236-0
- Component type: Unknown
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1
MCULE-2383043248-0
- Component type: Unknown
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1
MCULE-3539917846-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5905340870-0.sdf |
| SMILES | MCULE-5905340870-0.smiles |
| Standard InChI | MCULE-5905340870-0.inchi |
| InChIKey | MCULE-5905340870-0.txt |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 1488.788 |
| logP | -1.1975 |
| H-bond acceptors | 40 |
| H-bond donors | 26 |
| Rotatable bonds | 19 |
| PSA | 710.15 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 354.536 |
| Atoms | 226 |
| Rings | 9 |
| Heavy atoms | 101 |
| Hydrogen atoms | 125 |
| Heteroatoms | 41 |
| N/O atoms | 40 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 14 |
| R/S chiral centers | 14 |
| 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 |
