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UNKNOWN STEREO
MCULE-5064546197
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 | 9 USD | 99 | 20 working days | Get Quote |
| 5 mg | 10 USD | 99 | 20 working days | Get Quote |
| 10 mg | 11 USD | 99 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5064546197.sdf |
| SMILES | MCULE-5064546197.smiles |
| Standard InChI | MCULE-5064546197.inchi |
| InChIKey | MCULE-5064546197.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867640171 | N/A | As is | in stock |
| P-875806603 | N/A | As is | in stock |
| P-596968811 | 99 | As is | 8.75 g |
| P-896023564 | 95 | As is | in stock |
| P-901465889 | 95 | As is | by synthesis |
| P-675219693 | 95 | As is | in stock |
| P-869176580 | 95 | As is | in stock |
| P-892242574 | 95 | As is | 83 mg |
| P-892293351 | 95 | As is | 583 mg |
| P-892330804 | 95 | As is | 583 mg |
| P-1271710705 | 96 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 454.683 |
| logP | 7.2977 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 54.37 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 135.9518 |
| Atoms | 79 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 46 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| 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 |
