MCULE-5474754872
- 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 | 67 USD | 90 | 17 working days | Get Quote |
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MCULE-1741020560
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5474754872.sdf |
SMILES | MCULE-5474754872.smiles |
Standard InChI | MCULE-5474754872.inchi |
InChIKey | MCULE-5474754872.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-19121732 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-872141 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 179 mg |
P-24244587 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
P-13525006 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 394.506 |
logP | 3.3765 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 42.01 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 121.895 |
Atoms | 59 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 30 |
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 |