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UNKNOWN STEREO
MCULE-3033206313
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 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 USD | 97 | 20 working days | Get Quote |
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MCULE-9749603771
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3033206313.sdf |
| SMILES | MCULE-3033206313.smiles |
| Standard InChI | MCULE-3033206313.inchi |
| InChIKey | MCULE-3033206313.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875851957 | 98 | As is | in stock |
| P-892192408 | 97 | As is | 1000 g |
| P-505494461 | 95 | As is | in stock |
| P-869109327 | 95 | As is | unavailable |
| P-888627993 | 95 | As is | unavailable |
| P-611472636 | 90 | As is | in stock |
| P-1271598482 | 98 | As is | in stock |
| P-875830209 | 97 | As a main component | in stock |
| P-590379025 | 95 | As a main component | by resynthesis (? - ? days) |
| P-596972665 | 98 | As a main component | 1000 mg |
| P-864171253 | 98 | As a main component | in stock |
| P-1263526634 | 95 | As a main component | by synthesis |
| P-524442699 | 97 | As a main component | 508 mg |
| P-611508743 | 90 | As a main component | in stock |
| P-615459048 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 471.542 |
| logP | -0.39952 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 239.23 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 111.6205 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 17 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
