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UNKNOWN STEREO
MCULE-3886058445
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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 22 working days | Get Quote |
| 10 mg | 17 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3886058445.sdf |
| SMILES | MCULE-3886058445.smiles |
| Standard InChI | MCULE-3886058445.inchi |
| InChIKey | MCULE-3886058445.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867689473 | 98 | As is | in stock |
| P-875868285 | 98 | As is | in stock |
| P-869208116 | 95 | As is | by resynthesis (? - ? days) |
| P-881654156 | 98 | As is | in stock |
| P-1270329921 | 98 | As is | in stock |
| P-1270338578 | 99 | As is | in stock |
| P-872713695 | N/A | As is | in stock |
| P-606945806 | N/A | As is | in stock |
| P-900251040 | 98 | As is | 20 g |
| P-864182367 | 95 | As is | in stock |
| P-893218732 | 95 | As is | in stock |
| P-892291329 | 95 | As is | unavailable |
| P-869127109 | 95 | As is | 193 mg |
| P-888640296 | 95 | As is | 188 mg |
| P-1271667339 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 560.593 |
| logP | 4.4843 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 104.45 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 160.258 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 30 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
