MCULE-8339094070
- 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 | 89 USD | 90 | 17 working days | Get Quote |
5 mg | 97 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-8339094070.sdf |
SMILES | MCULE-8339094070.smiles |
Standard InChI | MCULE-8339094070.inchi |
InChIKey | MCULE-8339094070.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-449574886 | ChemDiv | New Chemistry Library | 90 | As is | 5 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 454.947 |
logP | 3.4024 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 72.96 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 135.4747 |
Atoms | 59 |
Rings | 4 |
Heavy atoms | 32 |
Hydrogen atoms | 27 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |