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MCULE-4679844983-0
Structure
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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 | 22 USD | 98 | 11 working days | Get Quote |
| 5 mg | 22 USD | 98 | 11 working days | Get Quote |
| 10 mg | 22 USD | 98 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4679844983-0.sdf |
| SMILES | MCULE-4679844983-0.smiles |
| Standard InChI | MCULE-4679844983-0.inchi |
| InChIKey | MCULE-4679844983-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903057142 | 98 | As is | 2 g |
| P-893597392 | 90 | As is | 24.859 g |
| P-505578430 | 98 | As is | in stock |
| P-881633880 | 98 | As is | in stock |
| P-851278083 | 95 | As is | by synthesis |
| P-608493957 | 95 | As is | in stock |
| P-579620013 | 95 | As is | in stock |
| P-905146592 | 95 | As is | by synthesis |
| P-854691987 | 95 | As is | in stock |
| P-474020409 | 95 | As is | in stock |
| P-608275065 | 98 | As is | in stock |
| P-589631360 | 98 | As is | in stock |
| P-579710004 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 302.407 |
| logP | 3.6178 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 49.69 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 87.5188 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 22 |
| Hydrogen atoms | 26 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
