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MCULE-4725223213
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-5133077095
- Component type: Counter Ion
-
1
MCULE-9347486445
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4725223213.sdf |
| SMILES | MCULE-4725223213.smiles |
| Standard InChI | MCULE-4725223213.inchi |
| InChIKey | MCULE-4725223213.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33267608 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 243.206 |
| logP | 3.3248 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 88.77 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 48.4942 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
