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P-605444429
Product
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- InChI:
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| Name | File |
|---|---|
| SDF | P-605444429.sdf |
| SMILES | P-605444429.smiles |
| Standard InChI | P-605444429.inchi |
| InChIKey | P-605444429.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.439 |
| logP | 1.6487 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 77.02 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 112.086 |
| Atoms | 53 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
