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UNKNOWN STEREO
MCULE-1948075485-0
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 | 5 USD | 98 | 22 working days | Get Quote |
| 5 mg | 5 USD | 98 | 22 working days | Get Quote |
| 10 mg | 5 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1948075485-0.sdf |
| SMILES | MCULE-1948075485-0.smiles |
| Standard InChI | MCULE-1948075485-0.inchi |
| InChIKey | MCULE-1948075485-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867662251 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875830910 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-606890658 | AmBeed | In stock | N/A | As is | in stock |
| P-596972960 | Angene | Building Blocks in stock | 98 | As is | 1.329 kg |
| P-864115068 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-500403298 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 281.261 |
| logP | 1.6217 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 112.93 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.2693 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
