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MCULE-8739545770
Compound
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- InChIKey:
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- InChI:
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1
MCULE-2682724274
- Component type: Unknown
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1
MCULE-8906786977
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8739545770.sdf |
| SMILES | MCULE-8739545770.smiles |
| Standard InChI | MCULE-8739545770.inchi |
| InChIKey | MCULE-8739545770.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33276963 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 269.005 |
| logP | 1.0669 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 68.81 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.4962 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| 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 |
