MCULE-9140806973-0
- 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 | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 66 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-9140806973-0.sdf |
SMILES | MCULE-9140806973-0.smiles |
Standard InChI | MCULE-9140806973-0.inchi |
InChIKey | MCULE-9140806973-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596467344 | Asinex | General screening catalog | 90 | As is | 107 mg |
P-19200210 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23060647 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-947123 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 193 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 462.569 |
logP | 4.1294 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 10 |
PSA | 155.34 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 120.8144 |
Atoms | 54 |
Rings | 3 |
Heavy atoms | 31 |
Hydrogen atoms | 23 |
Heteroatoms | 11 |
N/O atoms | 8 |
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 |