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P-596945657
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- InChIKey:
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-596945657.sdf |
| SMILES | P-596945657.smiles |
| Standard InChI | P-596945657.inchi |
| InChIKey | P-596945657.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 100.162 |
| logP | -0.2119 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.5627 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
