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MCULE-1093414271
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-9331197830
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1093414271.sdf |
| SMILES | MCULE-1093414271.smiles |
| Standard InChI | MCULE-1093414271.inchi |
| InChIKey | MCULE-1093414271.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895376286 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 136.043 |
| logP | -0.2711 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 76.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 26.7691 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
