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UNKNOWN STEREO
MCULE-7804389973-0
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 | 20 USD | 98 | 22 working days | Get Quote |
| 5 mg | 50 USD | 98 | 22 working days | Get Quote |
| 10 mg | 81 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-7804389973-0.sdf |
| SMILES | MCULE-7804389973-0.smiles |
| Standard InChI | MCULE-7804389973-0.inchi |
| InChIKey | MCULE-7804389973-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867536535 | 98 | As is | in stock |
| P-1275196361 | 98 | As is | in stock |
| P-1270380913 | 99 | As is | in stock |
| P-851954159 | N/A | As is | in stock |
| P-619135697 | 99 | As is | 1000 mg |
| P-864147934 | 92 | As is | in stock |
| P-901463902 | 95 | As is | by synthesis |
| P-675219476 | 95 | As is | in stock |
| P-869176542 | 95 | As is | in stock |
| P-892293176 | 95 | As is | unavailable |
| P-892240463 | 95 | As is | 228 mg |
| P-892329609 | 95 | As is | 228 mg |
| P-611369701 | 90 | As is | in stock |
| P-1271585345 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 492.429 |
| logP | 3.8801 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 177.89 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 128.6278 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 20 |
| Heteroatoms | 10 |
| 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 | 1 |
| Undefined stereo double bonds | 0 |
