MCULE-8481975841
- 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 | 53 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-8481975841.sdf |
SMILES | MCULE-8481975841.smiles |
Standard InChI | MCULE-8481975841.inchi |
InChIKey | MCULE-8481975841.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596379780 | Asinex | General screening catalog | 90 | As is | 18 mg |
P-3649977 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-19065996 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888390187 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-712375 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 148 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 415.440 |
logP | 3.2133 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 113.37 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 112.4382 |
Atoms | 47 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 18 |
Heteroatoms | 9 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |