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UNKNOWN STEREO
MCULE-3097818167
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-9276942666
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
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2
MCULE-3743781291
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3097818167.sdf |
| SMILES | MCULE-3097818167.smiles |
| Standard InChI | MCULE-3097818167.inchi |
| InChIKey | MCULE-3097818167.txt |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 637.531 |
| logP | 3.8012 |
| H-bond acceptors | 19 |
| H-bond donors | 7 |
| Rotatable bonds | 8 |
| PSA | 313.85 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 149.1297 |
| Atoms | 79 |
| Rings | 3 |
| Heavy atoms | 43 |
| Hydrogen atoms | 36 |
| Heteroatoms | 20 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
