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MCULE-9005821877-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-3934334695-0
- Component type: Unknown
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1
MCULE-5013099265-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9005821877-0.sdf |
| SMILES | MCULE-9005821877-0.smiles |
| Standard InChI | MCULE-9005821877-0.inchi |
| InChIKey | MCULE-9005821877-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489172811 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 251.279 |
| logP | 5.029 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 52.3 |
| RO5 violations | 1 |
| RO3 violations | 1 |
| Refractivity | 76.8324 |
| Atoms | 32 |
| Rings | 4 |
| Heavy atoms | 19 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
