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UNKNOWN STEREO
MCULE-3133416841
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 | 98 | 22 working days | Get Quote |
| 5 mg | 20 USD | 98 | 22 working days | Get Quote |
| 10 mg | 29 USD | 98 | 22 working days | Get Quote |
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MCULE-4447401512
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3133416841.sdf |
| SMILES | MCULE-3133416841.smiles |
| Standard InChI | MCULE-3133416841.inchi |
| InChIKey | MCULE-3133416841.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867643963 | 98 | As is | in stock |
| P-875810994 | 98 | As is | in stock |
| P-595222067 | 95 | As is | by resynthesis (? - ? days) |
| P-1270392032 | 98 | As is | in stock |
| P-895169263 | N/A | As is | in stock |
| P-868831231 | 98 | As is | 5 g |
| P-864147003 | 95 | As is | in stock |
| P-893221778 | 95 | As is | in stock |
| P-860799688 | 98 | As is | in stock |
| P-892298335 | 95 | As is | unavailable |
| P-869162708 | 95 | As is | 98 mg |
| P-888658084 | 95 | As is | 98 mg |
| P-1271685360 | 98 | As is | in stock |
| P-892257303 | 95 | As a main component | unavailable |
| P-892340671 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 383.448 |
| logP | 1.36998 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 115.42 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 106.5049 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 25 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
