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P-862029859
Product
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- InChI:
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| Name | File |
|---|---|
| SDF | P-862029859.sdf |
| SMILES | P-862029859.smiles |
| Standard InChI | P-862029859.inchi |
| InChIKey | P-862029859.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 237.251 |
| logP | -2.4924 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 89.9 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.9553 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
