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P-453955394
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- InChIKey:
- SMILES:
- InChI:
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| 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 | 260 USD | 90 | 9 working days | Get Quote |
| 5 mg | 260 USD | 90 | 9 working days | Get Quote |
| 10 mg | 260 USD | 90 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | P-453955394.sdf |
| SMILES | P-453955394.smiles |
| Standard InChI | P-453955394.inchi |
| InChIKey | P-453955394.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-453955394 | Specs | Screening Compounds | 90 | 17 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 455.758 |
| logP | 6.8539 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 36.1 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 126.9672 |
| Atoms | 47 |
| Rings | 5 |
| Heavy atoms | 30 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
