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MCULE-7962834756
Compound
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- InChIKey:
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- InChI:
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MCULE-5053568022
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7962834756.sdf |
| SMILES | MCULE-7962834756.smiles |
| Standard InChI | MCULE-7962834756.inchi |
| InChIKey | MCULE-7962834756.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-504613167 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 380.522 |
| logP | 4.8251 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 48.49 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 116.9545 |
| Atoms | 60 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 32 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
