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MCULE-5570591067
Compound
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| Name | File |
|---|---|
| SDF | MCULE-5570591067.sdf |
| SMILES | MCULE-5570591067.smiles |
| Standard InChI | MCULE-5570591067.inchi |
| InChIKey | MCULE-5570591067.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580381330 | N/A | As is | by resynthesis (? - ? days) |
| P-580482527 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 347.453 |
| logP | 3.9268 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 41.03 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 109.9357 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 25 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
