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MCULE-6308926929
Compound
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| Name | File |
|---|---|
| SDF | MCULE-6308926929.sdf |
| SMILES | MCULE-6308926929.smiles |
| Standard InChI | MCULE-6308926929.inchi |
| InChIKey | MCULE-6308926929.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-22766331 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-3249030 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 183.251 |
| logP | -0.61422 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 50.5 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.7958 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| 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 |
