MCULE-1153062184
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 89 USD | 90 | 17 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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Name | File |
---|---|
SDF | MCULE-1153062184.sdf |
SMILES | MCULE-1153062184.smiles |
Standard InChI | MCULE-1153062184.inchi |
InChIKey | MCULE-1153062184.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596294543 | Asinex | General screening catalog | 90 | As is | 27 mg |
P-4871788 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-12552125 | Specs | Screening Compounds | 90 | As is | 63 mg |
P-873058213 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 435.883 |
logP | 6.645 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 103.79 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 126.242 |
Atoms | 44 |
Rings | 4 |
Heavy atoms | 30 |
Hydrogen atoms | 14 |
Heteroatoms | 8 |
N/O atoms | 6 |
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 | 2 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 2 |
Undefined stereo double bonds | 0 |