MCULE-9684870078
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 260 USD | 90 | 9 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-9684870078.sdf |
SMILES | MCULE-9684870078.smiles |
Standard InChI | MCULE-9684870078.inchi |
InChIKey | MCULE-9684870078.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-427983457 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-502638804 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-503136071 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12384315 | Specs | Screening Compounds | 90 | As is | 129 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 291.770 |
logP | 3.7469 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 46.17 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 79.6727 |
Atoms | 38 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |