MCULE-1255587617
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-1255587617.sdf |
SMILES | MCULE-1255587617.smiles |
Standard InChI | MCULE-1255587617.inchi |
InChIKey | MCULE-1255587617.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-517102856 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-491251526 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23147640 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 343.587 |
logP | 5.3842 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 18 |
PSA | 21.7 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 108.127 |
Atoms | 69 |
Rings | 0 |
Heavy atoms | 24 |
Hydrogen atoms | 45 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |