MCULE-5518811811
- 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 | 130 USD | 90 | 27 working days | Get Quote |
10 mg | 130 USD | 90 | 27 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-5518811811.sdf |
SMILES | MCULE-5518811811.smiles |
Standard InChI | MCULE-5518811811.inchi |
InChIKey | MCULE-5518811811.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596318996 | Asinex | General screening catalog | 90 | As is | 30 mg |
P-449230846 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
P-18930379 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22486541 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 60 mg |
P-3245777 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 39 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 178.163 |
logP | 1.46998 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 52.89 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 43.9522 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 7 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |