MCULE-2444623074
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 260 USD | 90 | 9 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-2444623074.sdf |
SMILES | MCULE-2444623074.smiles |
Standard InChI | MCULE-2444623074.inchi |
InChIKey | MCULE-2444623074.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-13001304 | Specs | Screening Compounds | 90 | As is | 48 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 423.311 |
logP | 5.5394 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 85.22 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 115.2407 |
Atoms | 43 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 16 |
Heteroatoms | 8 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 | 1 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |