MCULE-1703078522
- 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 | 260 USD | 90 | 9 working days | Get Quote |
5 mg | 260 USD | 90 | 9 working days | Get Quote |
10 mg | 260 USD | 90 | 9 working days | Get Quote |
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MCULE-2082893216
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1703078522.sdf |
SMILES | MCULE-1703078522.smiles |
Standard InChI | MCULE-1703078522.inchi |
InChIKey | MCULE-1703078522.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-12295531 | Specs | Screening Compounds | 90 | As is | 1.732 g |
P-896165604 | Specs | Screening Compounds | 90 | As a main component | 15 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 448.981 |
logP | 4.4839 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 50.24 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 124.62 |
Atoms | 56 |
Rings | 5 |
Heavy atoms | 30 |
Hydrogen atoms | 26 |
Heteroatoms | 7 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |