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UNKNOWN STEREO
MCULE-2062975971-2
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-9369985261-9
- Component type: Main
-
2
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2062975971-2.sdf |
| SMILES | MCULE-2062975971-2.smiles |
| Standard InChI | MCULE-2062975971-2.inchi |
| InChIKey | MCULE-2062975971-2.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 567.144 |
| logP | -0.8781 |
| H-bond acceptors | 19 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 334.19 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 95.1658 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 34 |
| Hydrogen atoms | 14 |
| Heteroatoms | 24 |
| N/O atoms | 19 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
