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MCULE-4942939208-0
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 94 USD | 90 | 8 working days | Get Quote |
| 10 mg | 176 USD | 90 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4942939208-0.sdf |
| SMILES | MCULE-4942939208-0.smiles |
| Standard InChI | MCULE-4942939208-0.inchi |
| InChIKey | MCULE-4942939208-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502327447 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22454974 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 363.221 |
| logP | -1.9885 |
| H-bond acceptors | 13 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 215.85 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 76.4098 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 14 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
