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MCULE-6137751899-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | MCULE-6137751899-0.sdf |
| SMILES | MCULE-6137751899-0.smiles |
| Standard InChI | MCULE-6137751899-0.inchi |
| InChIKey | MCULE-6137751899-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904062582 | 95 | As is | by synthesis |
| P-23845234 | 90 | As is | unavailable |
| P-1274347079 | 95 | As is | unavailable |
| P-1274357663 | 95 | As is | unavailable |
| P-705188 | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.139 |
| logP | 3.5142 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 50.24 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 64.902 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
