MCULE-9558194741-0
- 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 | 89 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-9558194741-0.sdf |
SMILES | MCULE-9558194741-0.smiles |
Standard InChI | MCULE-9558194741-0.inchi |
InChIKey | MCULE-9558194741-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-16095702 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
Property | Value |
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Components | 1 |
Mass | 408.515 |
logP | 4.3087 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 11 |
PSA | 82.0 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 113.059 |
Atoms | 53 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 24 |
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 |