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UNKNOWN STEREO
MCULE-2776872476
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 | 34 USD | 99 | 22 working days | Get Quote |
| 5 mg | 81 USD | 99 | 22 working days | Get Quote |
| 10 mg | 120 USD | 99 | 22 working days | Get Quote |
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MCULE-5933185565
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2776872476.sdf |
| SMILES | MCULE-2776872476.smiles |
| Standard InChI | MCULE-2776872476.inchi |
| InChIKey | MCULE-2776872476.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867686127 | 99 | As is | in stock |
| P-875863609 | 99 | As is | in stock |
| P-1265953069 | 98 | As is | in stock |
| P-1270403589 | 99 | As is | in stock |
| P-606920874 | N/A | As is | in stock |
| P-891648678 | N/A | As is | by synthesis |
| P-1272024939 | N/A | As is | 50 mg |
| P-889795616 | 95 | As is | by synthesis |
| P-868078393 | 95 | As is | in stock |
| P-1274332405 | 95 | As is | unavailable |
| P-869109512 | 95 | As is | 8 mg |
| P-888628110 | 95 | As is | 6 mg |
| P-893944051 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 533.600 |
| logP | 4.664 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 135.53 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 143.2551 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 39 |
| Hydrogen atoms | 32 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
