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UNKNOWN STEREO
MCULE-2813874078
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 | N/A | 9 working days | Get Quote |
| 5 mg | 14 USD | 98 | 20 working days | Get Quote |
| 10 mg | 14 USD | 98 | 20 working days | Get Quote |
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MCULE-8409157816
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2813874078.sdf |
| SMILES | MCULE-2813874078.smiles |
| Standard InChI | MCULE-2813874078.inchi |
| InChIKey | MCULE-2813874078.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867621398 | 98 | As is | in stock |
| P-851953813 | N/A | As is | in stock |
| P-865917515 | 99 | As is | 10 g |
| P-881654598 | 98 | As is | in stock |
| P-864163072 | 95 | As is | in stock |
| P-893263500 | 95 | As is | by synthesis |
| P-893219258 | 95 | As is | in stock |
| P-893233111 | 95 | As is | in stock |
| P-860797658 | 98 | As is | in stock |
| P-500410595 | 95 | As is | by synthesis |
| P-869120853 | 95 | As is | by synthesis |
| P-892289602 | 95 | As is | 271 mg |
| P-888635597 | 95 | As is | 271 mg |
| P-611522688 | 90 | As is | in stock |
| P-611464512 | 90 | As is | in stock |
| P-606918989 | N/A | As a main component | in stock |
| P-596955190 | 98 | As a main component | 50 g |
| P-864097257 | 95 | As a main component | in stock |
| P-868545639 | 99 | As a main component | in stock |
| P-893219257 | 95 | As a main component | in stock |
| P-893233632 | 95 | As a main component | in stock |
| P-890851589 | 90 | As a main component | in stock |
| P-890850103 | 95 | As a main component | in stock |
| P-524440366 | 97 | As a main component | 161 mg |
| P-881188487 | 90 | As a main component | 50 mg |
| P-500392534 | 98 | As a main component | by synthesis |
| P-611413131 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 586.182 |
| logP | 8.948 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 95.72 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 172.6456 |
| Atoms | 77 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 36 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
