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UNKNOWN STEREO
MCULE-7479182283
Compound
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | MCULE-7479182283.sdf |
| SMILES | MCULE-7479182283.smiles |
| Standard InChI | MCULE-7479182283.inchi |
| InChIKey | MCULE-7479182283.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-611405186 | 90 | As is | in stock |
| P-855067867 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 341.400 |
| logP | 2.0098 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 48.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 96.477 |
| Atoms | 48 |
| Rings | 5 |
| Heavy atoms | 25 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
