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MCULE-1467355510-3
Structure
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- InChIKey:
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- InChI:
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MCULE-3210022590-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1467355510-3.sdf |
| SMILES | MCULE-1467355510-3.smiles |
| Standard InChI | MCULE-1467355510-3.inchi |
| InChIKey | MCULE-1467355510-3.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-906861636 | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 127.129 |
| logP | -0.2191 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 0 |
| PSA | 117.98 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 33.9349 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
