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P-91400
Product
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- InChI:
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| Name | File |
|---|---|
| SDF | P-91400.sdf |
| SMILES | P-91400.smiles |
| Standard InChI | P-91400.inchi |
| InChIKey | P-91400.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-91400 | Chemical Block | Screening Library | 90 | 205 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 368.168 |
| logP | 2.9573 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 111.02 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 90.8014 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 11 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
