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MCULE-3087976761
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 | 10 USD | 98 | 14 working days | Get Quote |
| 5 mg | 10 USD | 98 | 14 working days | Get Quote |
| 10 mg | 10 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3087976761.sdf |
| SMILES | MCULE-3087976761.smiles |
| Standard InChI | MCULE-3087976761.inchi |
| InChIKey | MCULE-3087976761.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903199102 | 98 | As is | 500 g |
| P-900154388 | 95 | As is | in stock |
| P-666959185 | 99 | As is | 760 g |
| P-900268288 | N/A | As is | by resynthesis (? - ? days) |
| P-452661126 | 98 | As is | in stock |
| P-861428177 | 95 | As is | by synthesis |
| P-579477390 | 95 | As is | in stock |
| P-579660708 | 95 | As is | by resynthesis (? - ? days) |
| P-896629775 | 95 | As is | by synthesis |
| P-854693159 | 95 | As is | in stock |
| P-871075633 | 95 | As is | in stock |
| P-608272262 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 432.376 |
| logP | 0.0499 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 170.05 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 106.1112 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 20 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
