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UNKNOWN STEREO
MCULE-5774195746-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7956034964-6
- Component type: Main
-
2
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5774195746-1.sdf |
| SMILES | MCULE-5774195746-1.smiles |
| Standard InChI | MCULE-5774195746-1.inchi |
| InChIKey | MCULE-5774195746-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-861285919 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 392.170 |
| logP | -1.2755 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 195.49 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 68.9408 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 11 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
