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UNKNOWN STEREO
MCULE-9010114058-0
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 | 32 USD | 95 | 7 working days | Get Quote |
| 5 mg | 32 USD | 95 | 7 working days | Get Quote |
| 10 mg | 51 USD | 95 | 7 working days | Get Quote |
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MCULE-7832505354-0
- Component type: Main
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MCULE-8784786511-0
- Component type: Main
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MCULE-9756529932-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9010114058-0.sdf |
| SMILES | MCULE-9010114058-0.smiles |
| Standard InChI | MCULE-9010114058-0.inchi |
| InChIKey | MCULE-9010114058-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852084769 | 95 | As is | by synthesis |
| P-901262789 | N/A | As is | in stock |
| P-893291916 | N/A | As is | in stock |
| P-892189168 | 97 | As is | 1.75 g |
| P-896024936 | 95 | As is | in stock |
| P-869126442 | 95 | As is | by synthesis |
| P-888639826 | 95 | As is | 919 mg |
| P-611455977 | 90 | As is | in stock |
| P-854966225 | 90 | As is | in stock |
| P-856052447 | 95 | As a main component | by synthesis |
| P-505516967 | 95 | As a main component | in stock |
| P-904223406 | 95 | As a main component | by synthesis |
| P-869144042 | 95 | As a main component | by synthesis |
| P-888647944 | 95 | As a main component | unavailable |
| P-904239385 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 408.874 |
| logP | 3.2954 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 99.88 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 108.9261 |
| Atoms | 53 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 25 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
