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MCULE-5695391344-1
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 | 90 | 14 working days | Get Quote |
| 5 mg | 6 USD | 90 | 14 working days | Get Quote |
| 10 mg | 6 USD | 90 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5695391344-1.sdf |
| SMILES | MCULE-5695391344-1.smiles |
| Standard InChI | MCULE-5695391344-1.inchi |
| InChIKey | MCULE-5695391344-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903060035 | 90 | As is | 5.5 kg |
| P-1264054044 | 95 | As is | in stock |
| P-901144797 | 90 | As is | 500 g |
| P-580730854 | 90 | As is | 650 g |
| P-868609302 | 95 | As is | in stock |
| P-905339998 | 90 | As is | 1.989 kg |
| P-862060726 | 90 | As is | 1.989 kg |
| P-854694085 | 95 | As is | in stock |
| P-584620853 | 95 | As is | in stock |
| P-619672599 | 98 | As is | in stock |
| P-888855446 | N/A | As is | in stock |
| P-617403604 | N/A | As is | in stock |
| P-906883363 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 90.078 |
| logP | -0.5482 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 19.4686 |
| Atoms | 12 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
