MCULE-6210817059-2
- 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 | 39 USD | 95 | 11 working days | Get Quote |
5 mg | 39 USD | 95 | 11 working days | Get Quote |
10 mg | 53 USD | 95 | 11 working days | Get Quote |
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MCULE-3676690944-2
- Component type: Main
Name | File |
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SDF | MCULE-6210817059-2.sdf |
SMILES | MCULE-6210817059-2.smiles |
Standard InChI | MCULE-6210817059-2.inchi |
InChIKey | MCULE-6210817059-2.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-888659003 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869163670 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
Property | Value |
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Components | 1 |
Mass | 1046.178 |
logP | 3.0695 |
H-bond acceptors | 25 |
H-bond donors | 14 |
Rotatable bonds | 37 |
PSA | 406.34 |
RO5 violations | 3 |
RO3 violations | 6 |
Refractivity | 276.2467 |
Atoms | 146 |
Rings | 4 |
Heavy atoms | 75 |
Hydrogen atoms | 71 |
Heteroatoms | 25 |
N/O atoms | 25 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 9 |
R/S chiral centers | 9 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |