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MCULE-3596733167-0
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 | 41 USD | 97 | 14 working days | Get Quote |
| 5 mg | 41 USD | 97 | 14 working days | Get Quote |
| 10 mg | 41 USD | 97 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3596733167-0.sdf |
| SMILES | MCULE-3596733167-0.smiles |
| Standard InChI | MCULE-3596733167-0.inchi |
| InChIKey | MCULE-3596733167-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875766960 | 97 | As is | in stock |
| P-903105561 | 97 | As is | 10 g |
| P-870566117 | 97 | As is | 600 mg |
| P-590762593 | 95 | As is | by synthesis |
| P-868559272 | 95 | As is | in stock |
| P-1272586318 | 95 | As is | 5 g |
| P-852461351 | 95 | As is | by synthesis |
| P-1274585227 | 95 | As is | in stock |
| P-863901356 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.995 |
| logP | 0.7973 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 40.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.6826 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
