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UNKNOWN STEREO
MCULE-2689331400
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 | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2689331400.sdf |
| SMILES | MCULE-2689331400.smiles |
| Standard InChI | MCULE-2689331400.inchi |
| InChIKey | MCULE-2689331400.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661025 | 98 | As is | in stock |
| P-875829695 | 98 | As is | in stock |
| P-1275181710 | 98 | As is | in stock |
| P-1275175976 | 97 | As is | in stock |
| P-1275145406 | 95 | As is | in stock |
| P-1270406240 | 98 | As is | in stock |
| P-606887544 | N/A | As is | in stock |
| P-596972500 | 98 | As is | 10 g |
| P-893240930 | 95 | As is | in stock |
| P-869176250 | 95 | As is | in stock |
| P-892237142 | 95 | As is | 2.021 g |
| P-892292747 | 95 | As is | 2.021 g |
| P-892327497 | 95 | As is | 2.021 g |
| P-854963341 | 90 | As is | in stock |
| P-1271699335 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 432.376 |
| logP | 0.0499 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 170.05 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 106.1112 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 20 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
