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UNKNOWN STEREO
MCULE-5649734116
Compound
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-5649734116.sdf |
| SMILES | MCULE-5649734116.smiles |
| Standard InChI | MCULE-5649734116.inchi |
| InChIKey | MCULE-5649734116.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869145415 | 95 | As is | unavailable |
| P-888648478 | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 426.595 |
| logP | 7.3495 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 56.5 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 138.0481 |
| Atoms | 66 |
| Rings | 5 |
| Heavy atoms | 32 |
| Hydrogen atoms | 34 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
