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MCULE-3763453759-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-1568671333-0
- Component type: Unknown
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MCULE-2662596903-0
- Component type: Main
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MCULE-6094362625-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3763453759-1.sdf |
| SMILES | MCULE-3763453759-1.smiles |
| Standard InChI | MCULE-3763453759-1.inchi |
| InChIKey | MCULE-3763453759-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867485172 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-852510371 | Matrix Scientific | All | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.108 |
| logP | 0.9129 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 131.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.103 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 3 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
