MCULE-4125841860
- 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 | 88 USD | 90 | 17 working days | Get Quote |
5 mg | 88 USD | 90 | 17 working days | Get Quote |
10 mg | 117 USD | 90 | 10 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-4125841860.sdf |
SMILES | MCULE-4125841860.smiles |
Standard InChI | MCULE-4125841860.inchi |
InChIKey | MCULE-4125841860.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-31214276 | LaboTest | Screening Collection | 90 | As is | 2 g |
P-35207545 | Maybridge | Screening Collection | 90 | As is | 7.969 kg |
P-630779466 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 255.742 |
logP | 2.8771 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 44.37 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 71.0794 |
Atoms | 35 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 18 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |