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UNKNOWN STEREO
MCULE-9613598415
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 | 13 USD | N/A | 9 working days | Get Quote |
| 5 mg | 13 USD | N/A | 9 working days | Get Quote |
| 10 mg | 13 USD | N/A | 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 | MCULE-9613598415.sdf |
| SMILES | MCULE-9613598415.smiles |
| Standard InChI | MCULE-9613598415.inchi |
| InChIKey | MCULE-9613598415.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-881662457 | 98 | As is | in stock |
| P-590389475 | 99 | As is | in stock |
| P-606892157 | N/A | As is | in stock |
| P-864175801 | 99 | As is | in stock |
| P-893241154 | 95 | As is | in stock |
| P-580408721 | 95 | As is | by resynthesis (? - ? days) |
| P-13960510 | 95 | As is | 86 mg |
| P-594274254 | 95 | As is | by synthesis |
| P-869177576 | 95 | As is | in stock |
| P-892295803 | 95 | As is | unavailable |
| P-892338189 | 95 | As is | 199 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.140 |
| logP | -2.1758 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 79.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 32.3834 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
