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UNKNOWN STEREO
MCULE-1515651773
Compound
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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 | 37 USD | 92 | 18 working days | Get Quote |
| 5 mg | 58 USD | 92 | 18 working days | Get Quote |
| 10 mg | 72 USD | 92 | 18 working days | Get Quote |
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MCULE-4743188115
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1515651773.sdf |
| SMILES | MCULE-1515651773.smiles |
| Standard InChI | MCULE-1515651773.inchi |
| InChIKey | MCULE-1515651773.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-24481501 | 92 | As a main component | 176 mg |
| P-13396151 | 92 | As a main component | 176 mg |
| P-617796016 | 90 | As a main component | 10 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 521.722 |
| logP | 5.9266 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 200.28 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 144.2348 |
| Atoms | 65 |
| Rings | 3 |
| Heavy atoms | 34 |
| Hydrogen atoms | 31 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| 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 |
