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UNKNOWN STEREO
MCULE-1271334200-0
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 | 20 USD | 98 | 22 working days | Get Quote |
| 5 mg | 67 USD | 98 | 22 working days | Get Quote |
| 10 mg | 89 USD | N/A | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1271334200-0.sdf |
| SMILES | MCULE-1271334200-0.smiles |
| Standard InChI | MCULE-1271334200-0.inchi |
| InChIKey | MCULE-1271334200-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634518 | 98 | As is | in stock |
| P-892794525 | 95 | As is | by resynthesis (? - ? days) |
| P-1270293905 | 98 | As is | in stock |
| P-868817979 | N/A | As is | by synthesis |
| P-889552264 | 95 | As is | in stock |
| P-675218495 | 95 | As is | in stock |
| P-869178126 | 95 | As is | in stock |
| P-892298142 | 95 | As is | unavailable |
| P-892267454 | 95 | As is | 875 mg |
| P-892347038 | 95 | As is | 874 mg |
| P-1271718196 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 382.452 |
| logP | 2.5521 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 67.87 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 112.9207 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
