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MCULE-5040545111-0
Structure
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- InChIKey:
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- InChI:
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| 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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 148 USD | 90 | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5040545111-0.sdf |
| SMILES | MCULE-5040545111-0.smiles |
| Standard InChI | MCULE-5040545111-0.inchi |
| InChIKey | MCULE-5040545111-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-4997827 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
| P-156971 | Chemical Block | Screening Library | 90 | As is | unavailable |
| P-22585225 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 430.294 |
| logP | 3.7259 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 65.26 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 109.0897 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
