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P-579619369
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- InChIKey:
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- InChI:
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| Name | File |
|---|---|
| SDF | P-579619369.sdf |
| SMILES | P-579619369.smiles |
| Standard InChI | P-579619369.inchi |
| InChIKey | P-579619369.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 417.951 |
| logP | 4.4028 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 125.13 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 112.1076 |
| Atoms | 55 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 28 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
