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MCULE-3047357891-0
Structure
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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.
|
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.
|
|
|---|---|---|---|---|
| 1 mg | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 6 USD | N/A | 14 working days | Get Quote |
| 10 mg | 6 USD | N/A | 14 working days | Get Quote |
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1
MCULE-1176533515-1
- Component type: Counter Ion
-
1
MCULE-2375359339-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3047357891-0.sdf |
| SMILES | MCULE-3047357891-0.smiles |
| Standard InChI | MCULE-3047357891-0.inchi |
| InChIKey | MCULE-3047357891-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903384331 | N/A | As is | 200 g |
| P-905495515 | 98 | As is | 100 g |
| P-893537420 | 90 | As is | 1.61894 kg |
| P-872930707 | 95 | As is | 75 g |
| P-901589674 | 95 | As is | by synthesis |
| P-893620221 | 97 | As is | in stock |
| P-905407850 | 95 | As is | 97.436 g |
| P-1274585271 | 95 | As is | in stock |
| P-888851817 | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 259.324 |
| logP | 2.7568 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 98.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.2872 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
