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UNKNOWN STEREO
MCULE-9279627033
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-2553301970
- Component type: Main
-
1
MCULE-9163528685
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9279627033.sdf |
| SMILES | MCULE-9279627033.smiles |
| Standard InChI | MCULE-9279627033.inchi |
| InChIKey | MCULE-9279627033.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904222862 | 95 | As is | unavailable |
| P-904239153 | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 630.736 |
| logP | 7.3309 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 208.53 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 161.241 |
| Atoms | 77 |
| Rings | 5 |
| Heavy atoms | 43 |
| Hydrogen atoms | 34 |
| Heteroatoms | 14 |
| 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 |
