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UNKNOWN STEREO
MCULE-3805063345-1
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 | 13 USD | 95 | 22 working days | Get Quote |
| 5 mg | 13 USD | 95 | 22 working days | Get Quote |
| 10 mg | 13 USD | 95 | 22 working days | Get Quote |
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MCULE-5351502745-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3805063345-1.sdf |
| SMILES | MCULE-3805063345-1.smiles |
| Standard InChI | MCULE-3805063345-1.inchi |
| InChIKey | MCULE-3805063345-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-905460902 | 99 | As is | in stock |
| P-855057578 | 90 | As is | in stock |
| P-855054805 | 90 | As is | in stock |
| P-893943684 | 99 | As is | in stock |
| P-867654300 | 95 | As a main component | in stock |
| P-1275184356 | 95 | As a main component | in stock |
| P-1275178861 | 98 | As a main component | in stock |
| P-580194809 | 98 | As a main component | in stock |
| P-596971141 | 98 | As a main component | 100 g |
| P-864140214 | 90 | As a main component | in stock |
| P-893225307 | 95 | As a main component | in stock |
| P-1271579063 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 523.570 |
| logP | 1.891 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 256.26 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 128.5704 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 17 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
