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MCULE-5299313585
Compound
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- InChIKey:
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-5299313585.sdf |
| SMILES | MCULE-5299313585.smiles |
| Standard InChI | MCULE-5299313585.inchi |
| InChIKey | MCULE-5299313585.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596236194 | Asinex | General screening catalog | 90 | As is | unavailable |
| P-596506997 | Asinex | General bb catalog | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 326.475 |
| logP | 4.9017 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 105.5227 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 30 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
