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MCULE-8474985285
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5646000632
- Component type: Unknown
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1
MCULE-7981253226
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8474985285.sdf |
| SMILES | MCULE-8474985285.smiles |
| Standard InChI | MCULE-8474985285.inchi |
| InChIKey | MCULE-8474985285.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-31248484 | LaboTest | Screening Collection | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 209.154 |
| logP | -0.9246 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 135.37 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 42.1983 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
