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UNKNOWN STEREO
MCULE-2083629645
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 | 72 USD | 98 | 16 working days | Get Quote |
| 5 mg | 72 USD | 98 | 16 working days | Get Quote |
| 10 mg | 72 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2083629645.sdf |
| SMILES | MCULE-2083629645.smiles |
| Standard InChI | MCULE-2083629645.inchi |
| InChIKey | MCULE-2083629645.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867592687 | 98 | As is | in stock |
| P-875751668 | 98 | As is | in stock |
| P-894671633 | 95 | As is | by resynthesis (? - ? days) |
| P-1270282662 | 98 | As is | in stock |
| P-904026545 | N/A | As is | in stock |
| P-895095046 | N/A | As is | 50 mg |
| P-889521876 | 95 | As is | by synthesis |
| P-904244503 | 95 | As is | unavailable |
| P-869110494 | 95 | As is | 177 mg |
| P-888628744 | 95 | As is | 175 mg |
| P-855245541 | 90 | As is | in stock |
| P-1271690826 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 366.409 |
| logP | 0.4663 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 64.6 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 106.3877 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 24 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
