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MCULE-7547592688
Compound
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-7547592688.sdf |
| SMILES | MCULE-7547592688.smiles |
| Standard InChI | MCULE-7547592688.inchi |
| InChIKey | MCULE-7547592688.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867394043 | N/A | As is | by synthesis |
| P-25956774 | 85 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 287.310 |
| logP | 0.6865 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 62.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 78.4046 |
| Atoms | 38 |
| Rings | 5 |
| Heavy atoms | 21 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
