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UNKNOWN STEREO
MCULE-1808898655
Compound
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- InChIKey:
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- InChI:
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1
MCULE-4108535737
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1808898655.sdf |
| SMILES | MCULE-1808898655.smiles |
| Standard InChI | MCULE-1808898655.inchi |
| InChIKey | MCULE-1808898655.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-35033458 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 347.278 |
| logP | 0.6551 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 93.683 |
| Atoms | 43 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 26 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
