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MCULE-5890803025-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-8917344355-0
- Component type: Counter Ion
-
1
MCULE-7372960664-1
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5890803025-0.sdf |
| SMILES | MCULE-5890803025-0.smiles |
| Standard InChI | MCULE-5890803025-0.inchi |
| InChIKey | MCULE-5890803025-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675410319 | 90 | As is | in stock |
| P-675502385 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 327.207 |
| logP | 2.5884 |
| H-bond acceptors | 13 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 206.6 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 79.6465 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 9 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
