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MCULE-1213701360
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 | 104 USD | 90 | 27 working days | Get Quote |
| 5 mg | 116 USD | 98 | 10 working days | Get Quote |
| 10 mg | 116 USD | 98 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1213701360.sdf |
| SMILES | MCULE-1213701360.smiles |
| Standard InChI | MCULE-1213701360.inchi |
| InChIKey | MCULE-1213701360.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870647936 | N/A | As is | in stock |
| P-870647963 | N/A | As is | in stock |
| P-524165359 | 98 | As is | 500 g |
| P-524183505 | 95 | As is | 1000 g |
| P-31131073 | 90 | As is | unavailable |
| P-885550534 | 95 | As is | by synthesis |
| P-19518842 | 90 | As is | in stock |
| P-906904984 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 219.199 |
| logP | 0.5892 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 157.05 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 52.7343 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
