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UNKNOWN STEREO
MCULE-4698786094
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 | 10 USD | 99 | 20 working days | Get Quote |
| 5 mg | 11 USD | 99 | 20 working days | Get Quote |
| 10 mg | 12 USD | 99 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4698786094.sdf |
| SMILES | MCULE-4698786094.smiles |
| Standard InChI | MCULE-4698786094.inchi |
| InChIKey | MCULE-4698786094.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569434 | N/A | As is | in stock |
| P-875729970 | 98 | As is | in stock |
| P-881654577 | 98 | As is | in stock |
| P-596930300 | 99 | As is | 15 g |
| P-864139182 | 95 | As is | in stock |
| P-868545571 | 99 | As is | in stock |
| P-893238843 | 95 | As is | in stock |
| P-860799800 | 98 | As is | in stock |
| P-505546502 | 95 | As is | in stock |
| P-500412689 | 97 | As is | by synthesis |
| P-869152028 | 95 | As is | 61 mg |
| P-892293363 | 95 | As is | 261 mg |
| P-888651093 | 95 | As is | 261 mg |
| P-611400946 | 90 | As is | in stock |
| P-855064729 | 90 | As is | in stock |
| P-855064743 | 90 | As is | in stock |
| P-1271574843 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 883.000 |
| logP | 8.3891 |
| H-bond acceptors | 16 |
| H-bond donors | 4 |
| Rotatable bonds | 17 |
| PSA | 193.1 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 251.5438 |
| Atoms | 119 |
| Rings | 9 |
| Heavy atoms | 65 |
| Hydrogen atoms | 54 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
