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UNKNOWN STEREO
MCULE-4202086319
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 | 325 USD | 95 | 35 working days | Get Quote |
| 5 mg | 325 USD | 95 | 35 working days | Get Quote |
| 10 mg | 325 USD | 95 | 35 working days | Get Quote |
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MCULE-4692697735
- Component type: Main
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MCULE-1840626745
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4202086319.sdf |
| SMILES | MCULE-4202086319.smiles |
| Standard InChI | MCULE-4202086319.inchi |
| InChIKey | MCULE-4202086319.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901460621 | 95 | As is | by synthesis |
| P-1270570381 | N/A | As a main component | by synthesis |
| P-889512225 | 95 | As a main component | by synthesis |
| P-611501387 | 90 | As a main component | in stock |
| P-855007834 | 90 | As a main component | in stock |
| P-855007837 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 165.232 |
| logP | 1.7188 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 32.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.7925 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 15 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
