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UNKNOWN STEREO
MCULE-5604194870
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 | 38 USD | 95 | 12 working days | Get Quote |
| 5 mg | 38 USD | 95 | 12 working days | Get Quote |
| 10 mg | 72 USD | 95 | 12 working days | Get Quote |
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MCULE-3489283216
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5604194870.sdf |
| SMILES | MCULE-5604194870.smiles |
| Standard InChI | MCULE-5604194870.inchi |
| InChIKey | MCULE-5604194870.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867542816 | 98 | As is | in stock |
| P-875699319 | 98 | As is | in stock |
| P-613847377 | 95 | As is | by resynthesis (? - ? days) |
| P-891665349 | N/A | As is | by synthesis |
| P-888813546 | 98 | As is | 5 mg |
| P-893235938 | 95 | As is | in stock |
| P-893235940 | 95 | As is | in stock |
| P-869159998 | 95 | As is | unavailable |
| P-888655421 | 95 | As is | unavailable |
| P-611450799 | 90 | As is | in stock |
| P-874656277 | 97 | As a main component | by resynthesis (? - ? days) |
| P-1270367445 | 98 | As a main component | in stock |
| P-892510018 | N/A | As a main component | in stock |
| P-905469463 | 95 | As a main component | in stock |
| P-1274334032 | 95 | As a main component | unavailable |
| P-869159502 | 95 | As a main component | 493 mg |
| P-888655043 | 95 | As a main component | 492 mg |
| P-1271664576 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.281 |
| logP | 1.2843 |
| H-bond acceptors | 6 |
| H-bond donors | 5 |
| Rotatable bonds | 9 |
| PSA | 111.23 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 59.0503 |
| Atoms | 35 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
