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UNKNOWN STEREO
MCULE-3991197012-0
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 | 29 USD | 95 | 22 working days | Get Quote |
| 5 mg | 51 USD | 95 | 22 working days | Get Quote |
| 10 mg | 51 USD | 95 | 22 working days | Get Quote |
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MCULE-2937535399-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3991197012-0.sdf |
| SMILES | MCULE-3991197012-0.smiles |
| Standard InChI | MCULE-3991197012-0.inchi |
| InChIKey | MCULE-3991197012-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551332 | 95 | As is | in stock |
| P-875709248 | 95 | As is | in stock |
| P-869283780 | 95 | As is | by resynthesis (? - ? days) |
| P-1270292479 | 98 | As is | in stock |
| P-606927047 | N/A | As is | in stock |
| P-596926909 | 95 | As is | 100 mg |
| P-864147983 | 95 | As is | in stock |
| P-860798725 | 98 | As is | in stock |
| P-868495709 | 98 | As is | in stock |
| P-867735210 | N/A | As a main component | by synthesis |
| P-892257272 | 95 | As a main component | unavailable |
| P-892340656 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 382.453 |
| logP | 5.8794 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 62.22 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 116.2992 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
