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P-904067671
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- InChI:
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| Name | File |
|---|---|
| SDF | P-904067671.sdf |
| SMILES | P-904067671.smiles |
| Standard InChI | P-904067671.inchi |
| InChIKey | P-904067671.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904067671 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 828.643 |
| logP | 3.9991 |
| H-bond acceptors | 20 |
| H-bond donors | 8 |
| Rotatable bonds | 14 |
| PSA | 286.39 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 199.6952 |
| Atoms | 96 |
| Rings | 6 |
| Heavy atoms | 56 |
| Hydrogen atoms | 40 |
| Heteroatoms | 22 |
| N/O atoms | 18 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
