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MCULE-7190167405
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-9555238839
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7190167405.sdf |
| SMILES | MCULE-7190167405.smiles |
| Standard InChI | MCULE-7190167405.inchi |
| InChIKey | MCULE-7190167405.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-7360812 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 255.310 |
| logP | 1.4439 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 59.95 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.1095 |
| Atoms | 39 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 21 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
