MCULE-5063822765
- 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.
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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.
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1 mg | 66 USD | 90 | 10 working days | Get Quote |
5 mg | 82 USD | 90 | 10 working days | Get Quote |
10 mg | 113 USD | 90 | 10 working days | Get Quote |
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MCULE-7091836827
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5063822765.sdf |
SMILES | MCULE-5063822765.smiles |
Standard InChI | MCULE-5063822765.inchi |
InChIKey | MCULE-5063822765.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-856008527 | Key Organics | Screening Compounds and Fragments | 90 | As a main component | 67 mg |
P-869060608 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 331.217 |
logP | 5.107 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 80.57 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 81.2491 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 12 |
Heteroatoms | 7 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 0 |
R/S chiral centers | 0 |
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 |