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UNKNOWN STEREO
MCULE-7639177291-0
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 | 10 USD | 98 | 22 working days | Get Quote |
| 5 mg | 10 USD | 98 | 22 working days | Get Quote |
| 10 mg | 10 USD | 98 | 22 working days | Get Quote |
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MCULE-9669723718-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7639177291-0.sdf |
| SMILES | MCULE-7639177291-0.smiles |
| Standard InChI | MCULE-7639177291-0.inchi |
| InChIKey | MCULE-7639177291-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661088 | 98 | As is | in stock |
| P-875830088 | 98 | As is | in stock |
| P-492323102 | 95 | As is | in stock |
| P-596972582 | 98 | As is | 200 g |
| P-864118045 | 98 | As is | in stock |
| P-505493467 | 95 | As is | in stock |
| P-611413629 | 90 | As is | in stock |
| P-1271639199 | 98 | As is | in stock |
| P-851679012 | N/A | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 414.878 |
| logP | 4.4962 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 113.96 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 104.8632 |
| Atoms | 55 |
| Rings | 1 |
| Heavy atoms | 28 |
| Hydrogen atoms | 27 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
