MCULE-5154057090
- 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 | 69 USD | 90 | 10 working days | Get Quote |
5 mg | 86 USD | 90 | 10 working days | Get Quote |
10 mg | 117 USD | 90 | 10 working days | Get Quote |
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1
MCULE-1889094393
- Component type: Main
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2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5154057090.sdf |
SMILES | MCULE-5154057090.smiles |
Standard InChI | MCULE-5154057090.inchi |
InChIKey | MCULE-5154057090.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-856003084 | Key Organics | Screening Compounds and Fragments | 90 | As is | 250 mg |
Property | Value |
---|---|
Components | 3 |
Mass | 377.304 |
logP | -0.6938 |
H-bond acceptors | 3 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 50.98 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 107.7199 |
Atoms | 47 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 22 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |