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MCULE-1302742517
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 | 3 USD | 95 | 16 working days | Get Quote |
| 5 mg | 3 USD | 95 | 16 working days | Get Quote |
| 10 mg | 3 USD | 95 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1302742517.sdf |
| SMILES | MCULE-1302742517.smiles |
| Standard InChI | MCULE-1302742517.inchi |
| InChIKey | MCULE-1302742517.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903111177 | 98 | As is | 800 g |
| P-895913135 | 95 | As is | by resynthesis (? - ? days) |
| P-580734292 | 98 | As is | 157 g |
| P-905499109 | N/A | As is | in stock |
| P-851266893 | 95 | As is | by synthesis |
| P-868645926 | 95 | As is | in stock |
| P-905361676 | 95 | As is | 30 g |
| P-861976851 | 95 | As is | 902.916 g |
| P-493675632 | N/A | As is | in stock |
| P-852410510 | N/A | As is | in stock |
| P-878648515 | 98 | As is | in stock |
| P-892838646 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 550.627 |
| logP | 5.923 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 14 |
| PSA | 166.06 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 146.3676 |
| Atoms | 69 |
| Rings | 4 |
| Heavy atoms | 39 |
| Hydrogen atoms | 30 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
