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UNKNOWN STEREO
MCULE-2780065478-1
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 | 10 USD | 97 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 USD | 97 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2780065478-1.sdf |
| SMILES | MCULE-2780065478-1.smiles |
| Standard InChI | MCULE-2780065478-1.inchi |
| InChIKey | MCULE-2780065478-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867607384 | 98 | As is | in stock |
| P-875765968 | 97 | As is | in stock |
| P-1275155519 | 95 | As is | in stock |
| P-1275180878 | 98 | As is | in stock |
| P-1275177077 | 98 | As is | in stock |
| P-881654049 | 98 | As is | in stock |
| P-1270293524 | 97 | As is | in stock |
| P-580244459 | 95 | As is | by synthesis |
| P-606916332 | N/A | As is | in stock |
| P-596961334 | 97 | As is | 500 g |
| P-864107844 | 95 | As is | in stock |
| P-861275703 | 95 | As is | in stock |
| P-488555905 | 92 | As is | in stock |
| P-892296062 | 95 | As is | unavailable |
| P-594274567 | 95 | As is | 197 mg |
| P-888656956 | 95 | As is | 197 mg |
| P-611421712 | 90 | As is | in stock |
| P-1271676797 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.442 |
| logP | 0.9211 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 166.55 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 98.1205 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 16 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
