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UNKNOWN STEREO
MCULE-5161520784
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-5161520784.sdf |
| SMILES | MCULE-5161520784.smiles |
| Standard InChI | MCULE-5161520784.inchi |
| InChIKey | MCULE-5161520784.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659423 | 98 | As is | in stock |
| P-875827550 | N/A | As is | in stock |
| P-590358189 | 98 | As is | in stock |
| P-606939741 | N/A | As is | in stock |
| P-596971811 | 98 | As is | 1.315 kg |
| P-864173777 | 98 | As is | in stock |
| P-893265172 | 95 | As is | by synthesis |
| P-861274432 | 95 | As is | in stock |
| P-505543977 | 95 | As is | in stock |
| P-869162420 | 95 | As is | by synthesis |
| P-892297539 | 95 | As is | unavailable |
| P-888657785 | 95 | As is | 100 mg |
| P-611366976 | 90 | As is | in stock |
| P-854635857 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 392.150 |
| logP | -0.1892 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 126.65 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 77.5958 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 13 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
