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UNKNOWN STEREO
MCULE-7447891125
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-5600958804
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7447891125.sdf |
| SMILES | MCULE-7447891125.smiles |
| Standard InChI | MCULE-7447891125.inchi |
| InChIKey | MCULE-7447891125.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500399928 | Pi Chemicals | Virtual Compounds | 96 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 327.739 |
| logP | 2.4332 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 85.02 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.4284 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
