MCULE-6115618924
- 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 | 117 USD | 90 | 8 working days | Get Quote |
5 mg | 234 USD | 90 | 8 working days | Get Quote |
10 mg | 260 USD | 90 | 9 working days | Get Quote |
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Name | File |
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SDF | MCULE-6115618924.sdf |
SMILES | MCULE-6115618924.smiles |
Standard InChI | MCULE-6115618924.inchi |
InChIKey | MCULE-6115618924.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-896224456 | Specs | Screening Compounds | 90 | As is | 13 mg |
P-22537752 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 28 mg |
Property | Value |
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Components | 1 |
Mass | 413.514 |
logP | 5.25968 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 90.96 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 123.0451 |
Atoms | 58 |
Rings | 4 |
Heavy atoms | 31 |
Hydrogen atoms | 27 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |