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UNKNOWN STEREO
MCULE-9087796410
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 | 15 USD | 98 | 22 working days | Get Quote |
| 5 mg | 25 USD | 98 | 22 working days | Get Quote |
| 10 mg | 38 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9087796410.sdf |
| SMILES | MCULE-9087796410.smiles |
| Standard InChI | MCULE-9087796410.inchi |
| InChIKey | MCULE-9087796410.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569934 | 98 | As is | in stock |
| P-1275196360 | 98 | As is | in stock |
| P-1270324653 | 98 | As is | in stock |
| P-606874648 | N/A | As is | in stock |
| P-596948930 | 98 | As is | 2 g |
| P-864144685 | 95 | As is | in stock |
| P-893237352 | 95 | As is | in stock |
| P-869178115 | 95 | As is | in stock |
| P-892298136 | 95 | As is | unavailable |
| P-594275305 | 95 | As is | 104 mg |
| P-892347032 | 95 | As is | 104 mg |
| P-611349207 | 90 | As is | in stock |
| P-1271688270 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 494.445 |
| logP | 3.3429 |
| H-bond acceptors | 10 |
| H-bond donors | 7 |
| Rotatable bonds | 9 |
| PSA | 184.98 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 130.8128 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 22 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
