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P-854704474
Product
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- InChI:
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| Name | File |
|---|---|
| SDF | P-854704474.sdf |
| SMILES | P-854704474.smiles |
| Standard InChI | P-854704474.inchi |
| InChIKey | P-854704474.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 414.396 |
| logP | 1.4591 |
| H-bond acceptors | 13 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 172.01 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 93.4609 |
| Atoms | 46 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 18 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
