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MCULE-9116773575
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.
|
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 | 11 USD | 98 | 11 working days | Get Quote |
| 5 mg | 11 USD | 98 | 11 working days | Get Quote |
| 10 mg | 11 USD | 98 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9116773575.sdf |
| SMILES | MCULE-9116773575.smiles |
| Standard InChI | MCULE-9116773575.inchi |
| InChIKey | MCULE-9116773575.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264472861 | N/A | As is | 5 g |
| P-893472708 | 90 | As is | 1.72279 kg |
| P-900154759 | 99 | As is | in stock |
| P-900268241 | N/A | As is | by resynthesis (? - ? days) |
| P-505573002 | 98 | As is | in stock |
| P-881633793 | 98 | As is | in stock |
| P-851256636 | 98 | As is | by synthesis |
| P-905321964 | 98 | As is | 858.85 g |
| P-905350014 | 98 | As is | 1.1 g |
| P-854718321 | 95 | As is | in stock |
| P-1263697921 | 95 | As is | in stock |
| P-1263957505 | 90 | As is | in stock |
| P-579709959 | 98 | As is | in stock |
| P-906760788 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 720.948 |
| logP | 7.0779 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 22 |
| PSA | 202.26 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 197.8239 |
| Atoms | 98 |
| Rings | 4 |
| Heavy atoms | 50 |
| Hydrogen atoms | 48 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| 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 |
