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MCULE-8138651478-1
Structure
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- InChIKey:
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- InChI:
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MCULE-6178332456-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8138651478-1.sdf |
| SMILES | MCULE-8138651478-1.smiles |
| Standard InChI | MCULE-8138651478-1.inchi |
| InChIKey | MCULE-8138651478-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580478286 | 97 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.210 |
| logP | 1.2615 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 52.94 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 37.8961 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 1 |
| 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 |
