MCULE-8170568587
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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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 | 136 USD | 90 | 20 working days | Get Quote |
5 mg | 148 USD | 90 | 20 working days | Get Quote |
10 mg | 162 USD | 90 | 20 working days | Get Quote |
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Name | File |
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SDF | MCULE-8170568587.sdf |
SMILES | MCULE-8170568587.smiles |
Standard InChI | MCULE-8170568587.inchi |
InChIKey | MCULE-8170568587.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-631404738 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-676493405 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
Property | Value |
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Components | 1 |
Mass | 278.329 |
logP | 2.794 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 88.69 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 74.2782 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |