MCULE-4075475678
- 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 | 260 USD | 90 | 9 working days | Get Quote |
5 mg | 260 USD | 90 | 9 working days | Get Quote |
10 mg | 260 USD | 90 | 9 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-4075475678.sdf |
SMILES | MCULE-4075475678.smiles |
Standard InChI | MCULE-4075475678.inchi |
InChIKey | MCULE-4075475678.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-630136016 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-12700538 | Specs | Screening Compounds | 90 | As is | 186 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 302.100 |
logP | 4.5969 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 70.5922 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 7 |
Heteroatoms | 6 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
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 |