MCULE-9130485891
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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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 | 37 USD | 90 | 22 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-9130485891.sdf |
SMILES | MCULE-9130485891.smiles |
Standard InChI | MCULE-9130485891.inchi |
InChIKey | MCULE-9130485891.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-3745305 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-12949085 | Otava | In-House Stock Library | 90 | As is | 195 mg |
P-617705262 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 195 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 345.482 |
logP | 3.7404 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 97.07 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 87.8027 |
Atoms | 45 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 23 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |