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UNKNOWN STEREO
MCULE-2582804693
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 | 178 USD | 95 | 12 working days | Get Quote |
| 5 mg | 407 USD | 95 | 12 working days | Get Quote |
| 10 mg | 700 USD | 95 | 42 working days | Get Quote |
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MCULE-1706191921
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2582804693.sdf |
| SMILES | MCULE-2582804693.smiles |
| Standard InChI | MCULE-2582804693.inchi |
| InChIKey | MCULE-2582804693.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266343869 | N/A | As is | in stock |
| P-1265984020 | N/A | As is | in stock |
| P-891655443 | N/A | As is | by synthesis |
| P-1274630338 | N/A | As is | 5 mg |
| P-904251123 | 95 | As is | unavailable |
| P-892254116 | 95 | As is | 82 mg |
| P-892338915 | 95 | As is | 81 mg |
| P-611527115 | 90 | As is | in stock |
| P-864330252 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 457.559 |
| logP | 5.9648 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 62.16 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 139.561 |
| Atoms | 65 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 31 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
