MCULE-6078772683-0
- 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 | 45 USD | 90 | 21 working days | Get Quote |
5 mg | 72 USD | 90 | 21 working days | Get Quote |
10 mg | 86 USD | 90 | 21 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-6078772683-0.sdf |
SMILES | MCULE-6078772683-0.smiles |
Standard InChI | MCULE-6078772683-0.inchi |
InChIKey | MCULE-6078772683-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-6258802 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-13182631 | Otava | In-House Stock Library | 90 | As is | 633 mg |
P-454248622 | Specs | Screening Compounds | 90 | As is | 27 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 283.413 |
logP | 2.7869 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 88.28 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 68.894 |
Atoms | 38 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 21 |
Heteroatoms | 7 |
N/O atoms | 5 |
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 |