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UNKNOWN STEREO
MCULE-3936069153
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 | 55 USD | 97 | 22 working days | Get Quote |
| 5 mg | 124 USD | 97 | 22 working days | Get Quote |
| 10 mg | 184 USD | 97 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3936069153.sdf |
| SMILES | MCULE-3936069153.smiles |
| Standard InChI | MCULE-3936069153.inchi |
| InChIKey | MCULE-3936069153.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679018 | 97 | As is | in stock |
| P-875856010 | 97 | As is | in stock |
| P-869268557 | 95 | As is | by resynthesis (? - ? days) |
| P-1270273807 | 97 | As is | in stock |
| P-606937716 | N/A | As is | in stock |
| P-865931741 | 97 | As is | 50 mg |
| P-889559983 | 97 | As is | in stock |
| P-860800395 | 98 | As is | in stock |
| P-868079010 | 95 | As is | in stock |
| P-594274600 | 95 | As is | 1.002 g |
| P-892296092 | 95 | As is | 1.002 g |
| P-888656966 | 95 | As is | 1.002 g |
| P-1279263643 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 585.092 |
| logP | 4.3987 |
| H-bond acceptors | 11 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 126.08 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 162.5375 |
| Atoms | 78 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 37 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| 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 |
