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UNKNOWN STEREO
MCULE-4904995793-0
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 | 12 USD | 97 | 22 working days | Get Quote |
| 5 mg | 23 USD | 97 | 22 working days | Get Quote |
| 10 mg | 29 USD | 97 | 22 working days | Get Quote |
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MCULE-9364372181-0
- Component type: Main
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MCULE-5946642752-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4904995793-0.sdf |
| SMILES | MCULE-4904995793-0.smiles |
| Standard InChI | MCULE-4904995793-0.inchi |
| InChIKey | MCULE-4904995793-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867646173 | 97 | As is | in stock |
| P-875814164 | 98 | As is | in stock |
| P-1275198599 | 98 | As is | in stock |
| P-505402002 | 95 | As is | by resynthesis (? - ? days) |
| P-1270392320 | 97 | As is | in stock |
| P-596970074 | 97 | As is | 2 g |
| P-868543950 | 98 | As is | in stock |
| P-893230506 | 95 | As is | in stock |
| P-860798134 | 98 | As is | in stock |
| P-675216006 | 95 | As is | in stock |
| P-892296580 | 95 | As is | unavailable |
| P-869161801 | 95 | As is | 164 mg |
| P-888657190 | 95 | As is | 160 mg |
| P-575329490 | 98 | As is | in stock |
| P-860799217 | 98 | As a main component | in stock |
| P-892252016 | 95 | As a main component | unavailable |
| P-892337068 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 618.812 |
| logP | 4.7369 |
| H-bond acceptors | 11 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 106.17 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 192.4329 |
| Atoms | 95 |
| Rings | 6 |
| Heavy atoms | 45 |
| Hydrogen atoms | 50 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
