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MCULE-6785525758
Compound
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| Name | File |
|---|---|
| SDF | MCULE-6785525758.sdf |
| SMILES | MCULE-6785525758.smiles |
| Standard InChI | MCULE-6785525758.inchi |
| InChIKey | MCULE-6785525758.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489135628 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-489232286 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 446.323 |
| logP | 2.7449 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 105.42 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 112.0397 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 16 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
