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MCULE-8445659823
Compound
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| Name | File |
|---|---|
| SDF | MCULE-8445659823.sdf |
| SMILES | MCULE-8445659823.smiles |
| Standard InChI | MCULE-8445659823.inchi |
| InChIKey | MCULE-8445659823.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-503497148 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-596838076 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-588785613 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 247.675 |
| logP | 3.3709 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.6892 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
