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UNKNOWN STEREO
MCULE-4836044695-0
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 | 72 USD | 95 | 20 working days | Get Quote |
| 5 mg | 72 USD | 95 | 20 working days | Get Quote |
| 10 mg | 72 USD | 95 | 20 working days | Get Quote |
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MCULE-8781603070-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4836044695-0.sdf |
| SMILES | MCULE-4836044695-0.smiles |
| Standard InChI | MCULE-4836044695-0.inchi |
| InChIKey | MCULE-4836044695-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869306658 | 95 | As is | by resynthesis (? - ? days) |
| P-904975404 | 95 | As is | by synthesis |
| P-505513682 | 95 | As is | in stock |
| P-855361245 | 90 | As is | in stock |
| P-1271451339 | 95 | As is | by synthesis |
| P-1265827174 | 95 | As a main component | in stock |
| P-869346565 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1271950681 | 95 | As a main component | 12 g |
| P-1263785805 | 95 | As a main component | in stock |
| P-893250414 | 95 | As a main component | by synthesis |
| P-611402166 | 90 | As a main component | in stock |
| P-611462079 | 90 | As a main component | in stock |
| P-893659340 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 223.225 |
| logP | 1.2495 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 100.62 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 57.7187 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
