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MCULE-9181245948
Compound
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| Name | File |
|---|---|
| SDF | MCULE-9181245948.sdf |
| SMILES | MCULE-9181245948.smiles |
| Standard InChI | MCULE-9181245948.inchi |
| InChIKey | MCULE-9181245948.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-868605421 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-852532166 | Matrix Scientific | All | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 298.256 |
| logP | -1.9421 |
| H-bond acceptors | 11 |
| H-bond donors | 6 |
| Rotatable bonds | 2 |
| PSA | 185.53 |
| RO5 violations | 2 |
| RO3 violations | 3 |
| Refractivity | 69.9039 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
