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UNKNOWN STEREO
MCULE-4124590092
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 | 20 USD | 99 | 20 working days | Get Quote |
| 5 mg | 37 USD | 99 | 20 working days | Get Quote |
| 10 mg | 55 USD | 99 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4124590092.sdf |
| SMILES | MCULE-4124590092.smiles |
| Standard InChI | MCULE-4124590092.inchi |
| InChIKey | MCULE-4124590092.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637430 | 99 | As is | in stock |
| P-875802478 | 99 | As is | in stock |
| P-1270351486 | 99 | As is | in stock |
| P-891645526 | N/A | As is | in stock |
| P-596995948 | 99 | As is | 3 g |
| P-864303388 | 95 | As is | by synthesis |
| P-892302513 | 95 | As is | in stock |
| P-869124030 | 95 | As is | 492 mg |
| P-888637954 | 95 | As is | 490 mg |
| P-611510180 | 90 | As is | in stock |
| P-611525491 | 90 | As is | in stock |
| P-1279180449 | 99 | As is | in stock |
| P-886921861 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 246.217 |
| logP | -2.366 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 119.33 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 60.0361 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
