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MCULE-6653171683-0
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.
|
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|---|---|---|---|---|
| 1 mg | 89 USD | 90 | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6653171683-0.sdf |
| SMILES | MCULE-6653171683-0.smiles |
| Standard InChI | MCULE-6653171683-0.inchi |
| InChIKey | MCULE-6653171683-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-16085401 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 397.892 |
| logP | 5.0196 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 46.61 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 114.683 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 24 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
