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UNKNOWN STEREO
MCULE-4395140487-1
Structure
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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 | 34 USD | 98 | 19 working days | Get Quote |
| 5 mg | 76 USD | 98 | 19 working days | Get Quote |
| 10 mg | 76 USD | 98 | 19 working days | Get Quote |
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MCULE-1155965360-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4395140487-1.sdf |
| SMILES | MCULE-4395140487-1.smiles |
| Standard InChI | MCULE-4395140487-1.inchi |
| InChIKey | MCULE-4395140487-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1265852896 | 98 | As a main component | in stock |
| P-1275196334 | 98 | As a main component | in stock |
| P-905021285 | N/A | As a main component | by synthesis |
| P-1274623499 | 98 | As a main component | unavailable |
| P-864144689 | 95 | As a main component | in stock |
| P-901463685 | 95 | As a main component | by synthesis |
| P-855299916 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 197.164 |
| logP | -1.2489 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 100.82 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.0593 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| 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 |
