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UNKNOWN STEREO
MCULE-1232207442-1
Structure
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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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1232207442-1.sdf |
| SMILES | MCULE-1232207442-1.smiles |
| Standard InChI | MCULE-1232207442-1.inchi |
| InChIKey | MCULE-1232207442-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661869 | 98 | As is | in stock |
| P-875830828 | 98 | As is | in stock |
| P-1275199428 | 98 | As is | in stock |
| P-1275180997 | 98 | As is | in stock |
| P-1275183084 | 95 | As is | in stock |
| P-596972921 | 98 | As is | 100 g |
| P-864133284 | 95 | As is | in stock |
| P-868545522 | 98 | As is | in stock |
| P-893218363 | 95 | As is | in stock |
| P-525181225 | 95 | As is | 890 mg |
| P-892297243 | 95 | As is | 3.89 g |
| P-888657556 | 95 | As is | 3.89 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 645.672 |
| logP | -0.5165 |
| H-bond acceptors | 17 |
| H-bond donors | 4 |
| Rotatable bonds | 12 |
| PSA | 270.86 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 164.1942 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 44 |
| Hydrogen atoms | 27 |
| Heteroatoms | 19 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
