MCULE-7192715654
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 60 USD | 90 | 22 working days | Get Quote |
5 mg | 70 USD | 90 | 22 working days | Get Quote |
10 mg | 93 USD | 90 | 22 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-7192715654.sdf |
SMILES | MCULE-7192715654.smiles |
Standard InChI | MCULE-7192715654.inchi |
InChIKey | MCULE-7192715654.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-525108485 | AsisChem | In-stock Compounds for biological screening | 95 | As is | in stock |
P-7484335 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-624448749 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-23508018 | Specs | Screening Compounds | 90 | As is | 17 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 290.425 |
logP | 2.9671 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 74.86 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 77.3527 |
Atoms | 45 |
Rings | 1 |
Heavy atoms | 19 |
Hydrogen atoms | 26 |
Heteroatoms | 6 |
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 |