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P-500395919
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| Name | File |
|---|---|
| SDF | P-500395919.sdf |
| SMILES | P-500395919.smiles |
| Standard InChI | P-500395919.inchi |
| InChIKey | P-500395919.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500395919 | Pi Chemicals | Virtual Compounds | 98 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 100.116 |
| logP | 1.0372 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 27.4468 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
