MCULE-1981645279
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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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 | 47 USD | 90 | 21 working days | Get Quote |
5 mg | 76 USD | 90 | 21 working days | Get Quote |
10 mg | 91 USD | 90 | 21 working days | Get Quote |
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MCULE-3344230176
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1981645279.sdf |
SMILES | MCULE-1981645279.smiles |
Standard InChI | MCULE-1981645279.inchi |
InChIKey | MCULE-1981645279.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-12959444 | Otava | In-House Stock Library | 90 | As is | 12 mg |
P-13128533 | Specs | Screening Compounds | 90 | As is | 43 mg |
P-892445213 | Asinex | General screening catalog | 90 | As a main component | 56 mg |
P-5498991 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 10 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 258.357 |
logP | 0.2039 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 53.01 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 78.5598 |
Atoms | 44 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 26 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |