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P-3248642
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| Name | File |
|---|---|
| SDF | P-3248642.sdf |
| SMILES | P-3248642.smiles |
| Standard InChI | P-3248642.inchi |
| InChIKey | P-3248642.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-3248642 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | 102 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.314 |
| logP | 2.7941 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 80.57 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.6251 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
