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MCULE-1647620368
Compound
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- InChIKey:
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- InChI:
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MCULE-9218454277
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1647620368.sdf |
| SMILES | MCULE-1647620368.smiles |
| Standard InChI | MCULE-1647620368.inchi |
| InChIKey | MCULE-1647620368.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580303879 | Debye Scientific | General Catalog | 95 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 148.143 |
| logP | 0.6148 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 80.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 29.2178 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
