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UNKNOWN STEREO
MCULE-8884104065
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 | 168 USD | 97 | 16 working days | Get Quote |
| 5 mg | 168 USD | 97 | 16 working days | Get Quote |
| 10 mg | 168 USD | 97 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8884104065.sdf |
| SMILES | MCULE-8884104065.smiles |
| Standard InChI | MCULE-8884104065.inchi |
| InChIKey | MCULE-8884104065.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867596933 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875756348 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590371185 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-851554499 | AmBeed | On request | N/A | As is | by synthesis |
| P-638589011 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-855346726 | Toronto Research | In stock | 90 | As is | in stock |
| P-886919391 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.144 |
| logP | -1.402 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 112.65 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 34.7917 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
