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MCULE-4832731255
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-2320645937
- Component type: Unknown
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1
MCULE-3861334509
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4832731255.sdf |
| SMILES | MCULE-4832731255.smiles |
| Standard InChI | MCULE-4832731255.inchi |
| InChIKey | MCULE-4832731255.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-33389259 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 652.515 |
| logP | 7.7112 |
| H-bond acceptors | 15 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 212.39 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 173.0886 |
| Atoms | 68 |
| Rings | 8 |
| Heavy atoms | 48 |
| Hydrogen atoms | 20 |
| Heteroatoms | 15 |
| N/O atoms | 15 |
| 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 |
