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MCULE-2710657301
Compound
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| Name | File |
|---|---|
| SDF | MCULE-2710657301.sdf |
| SMILES | MCULE-2710657301.smiles |
| Standard InChI | MCULE-2710657301.inchi |
| InChIKey | MCULE-2710657301.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-207991 | Chemical Block | Screening Library | 90 | As is | 2 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 482.379 |
| logP | 5.0888 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 116.53 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 129.3497 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 21 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
