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MCULE-1451021958-0
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 | 127 USD | 95 | 15 working days | Get Quote |
| 5 mg | 127 USD | 95 | 15 working days | Get Quote |
| 10 mg | 217 USD | 95 | 15 working days | Get Quote |
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MCULE-6137621513-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1451021958-0.sdf |
| SMILES | MCULE-1451021958-0.smiles |
| Standard InChI | MCULE-1451021958-0.inchi |
| InChIKey | MCULE-1451021958-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-902967758 | 95 | As is | 69 mg |
| P-905500532 | N/A | As is | in stock |
| P-1263265238 | 95 | As is | by synthesis |
| P-871069151 | 95 | As is | in stock |
| P-900260834 | 98 | As is | by synthesis |
| P-903375423 | 96 | As a main component | 5 mg |
| P-896541220 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 744.411 |
| logP | 5.8315 |
| H-bond acceptors | 16 |
| H-bond donors | 11 |
| Rotatable bonds | 36 |
| PSA | 283.29 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 203.4618 |
| Atoms | 117 |
| Rings | 0 |
| Heavy atoms | 51 |
| Hydrogen atoms | 66 |
| Heteroatoms | 17 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
