MCULE-1506614979
- 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 | 94 USD | 90 | 18 working days | Get Quote |
5 mg | 112 USD | 90 | 18 working days | Get Quote |
10 mg | 125 USD | 90 | 18 working days | Get Quote |
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Name | File |
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SDF | MCULE-1506614979.sdf |
SMILES | MCULE-1506614979.smiles |
Standard InChI | MCULE-1506614979.inchi |
InChIKey | MCULE-1506614979.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-579457563 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-14419334 | Life Chemicals | Screening Compounds | 90 | As is | 32 mg |
Property | Value |
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Components | 1 |
Mass | 302.454 |
logP | 4.3251 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 58.61 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 91.5512 |
Atoms | 52 |
Rings | 4 |
Heavy atoms | 22 |
Hydrogen atoms | 30 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 6 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 6 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |