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MCULE-5855084700
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 | 81 USD | 95 | 34 working days | Get Quote |
| 5 mg | 169 USD | 98 | 11 working days | Get Quote |
| 10 mg | 169 USD | 98 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5855084700.sdf |
| SMILES | MCULE-5855084700.smiles |
| Standard InChI | MCULE-5855084700.inchi |
| InChIKey | MCULE-5855084700.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875794958 | 98 | As is | in stock |
| P-903147352 | 98 | As is | 15 mg |
| P-591173924 | 98 | As is | by synthesis |
| P-900268204 | N/A | As is | by resynthesis (? - ? days) |
| P-881628183 | 98 | As is | in stock |
| P-887202840 | 95 | As is | by synthesis |
| P-854692162 | 95 | As is | in stock |
| P-904074953 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 256.252 |
| logP | 2.6995 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.3175 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
