MCULE-7923908963
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
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1 mg | 174 USD | 90 | 25 working days | Get Quote |
5 mg | 243 USD | 90 | 25 working days | Get Quote |
10 mg | 278 USD | 90 | 25 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-7923908963.sdf |
SMILES | MCULE-7923908963.smiles |
Standard InChI | MCULE-7923908963.inchi |
InChIKey | MCULE-7923908963.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596236526 | Asinex | General screening catalog | 90 | As is | 329 mg |
P-23101052 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 456.963 |
logP | 4.301 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 10 |
PSA | 90.54 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 129.5701 |
Atoms | 61 |
Rings | 3 |
Heavy atoms | 32 |
Hydrogen atoms | 29 |
Heteroatoms | 8 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |