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UNKNOWN STEREO
MCULE-3555118356-0
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 | 29 USD | 99 | 20 working days | Get Quote |
| 5 mg | 65 USD | 99 | 20 working days | Get Quote |
| 10 mg | 80 USD | 99 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3555118356-0.sdf |
| SMILES | MCULE-3555118356-0.smiles |
| Standard InChI | MCULE-3555118356-0.inchi |
| InChIKey | MCULE-3555118356-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875834920 | 99 | As is | in stock |
| P-1275196343 | 98 | As is | in stock |
| P-1270309145 | 99 | As is | in stock |
| P-606873991 | N/A | As is | in stock |
| P-596973960 | 99 | As is | 5 g |
| P-864147733 | 98 | As is | in stock |
| P-893241166 | 95 | As is | in stock |
| P-675218406 | 95 | As is | in stock |
| P-869178133 | 95 | As is | in stock |
| P-892298146 | 95 | As is | unavailable |
| P-892267459 | 95 | As is | 83 mg |
| P-892347042 | 95 | As is | 83 mg |
| P-611369926 | 90 | As is | in stock |
| P-1271719305 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 448.375 |
| logP | -0.2027 |
| H-bond acceptors | 11 |
| H-bond donors | 8 |
| Rotatable bonds | 3 |
| PSA | 201.28 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 108.6312 |
| Atoms | 52 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 20 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
