MCULE-8407868694-0
- 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 | 20 USD | 97 | 8 working days | Get Quote |
| 5 mg | 20 USD | 97 | 8 working days | Get Quote |
| 10 mg | 20 USD | 97 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8407868694-0.sdf |
| SMILES | MCULE-8407868694-0.smiles |
| Standard InChI | MCULE-8407868694-0.inchi |
| InChIKey | MCULE-8407868694-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580697427 | 97 | As a component | 5.65 kg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 137.112 |
| logP | -0.2443 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 60.36 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 33.482 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |

