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MCULE-2175627455
Compound
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| Name | File |
|---|---|
| SDF | MCULE-2175627455.sdf |
| SMILES | MCULE-2175627455.smiles |
| Standard InChI | MCULE-2175627455.inchi |
| InChIKey | MCULE-2175627455.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-33736 | 90 | As is | 2 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 509.482 |
| logP | 3.7326 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 124.55 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 131.0604 |
| Atoms | 61 |
| Rings | 3 |
| Heavy atoms | 37 |
| Hydrogen atoms | 24 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
