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MCULE-1896369354
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
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|---|---|---|---|---|
| 1 mg | 163 USD | N/A | 15 working days | Get Quote |
| 5 mg | 163 USD | N/A | 15 working days | Get Quote |
| 10 mg | 163 USD | N/A | 15 working days | Get Quote |
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MCULE-3588014441
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1896369354.sdf |
| SMILES | MCULE-1896369354.smiles |
| Standard InChI | MCULE-1896369354.inchi |
| InChIKey | MCULE-1896369354.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-610978377 | 90 | As is | 11 g |
| P-901897119 | 95 | As is | by synthesis |
| P-493673905 | N/A | As is | in stock |
| P-1274454748 | 90 | As a main component | by synthesis |
| P-895212301 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 230.221 |
| logP | 1.11826 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 125.38 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.6765 |
| Atoms | 30 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 14 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
