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MCULE-4118364732
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 | 435 USD | 97 | 10 working days | Get Quote |
| 5 mg | 1518 USD | 97 | 10 working days | Get Quote |
| 10 mg | 3035 USD | 97 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4118364732.sdf |
| SMILES | MCULE-4118364732.smiles |
| Standard InChI | MCULE-4118364732.inchi |
| InChIKey | MCULE-4118364732.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893265995 | 95 | As is | by synthesis |
| P-1273109496 | 97 | As is | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 3157.410 |
| logP | -2.353 |
| H-bond acceptors | 85 |
| H-bond donors | 48 |
| Rotatable bonds | 129 |
| PSA | 1367.68 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 788.6069 |
| Atoms | 434 |
| Rings | 7 |
| Heavy atoms | 224 |
| Hydrogen atoms | 210 |
| Heteroatoms | 85 |
| N/O atoms | 85 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 27 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 27 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
