MCULE-2240804129
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 53 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-2240804129.sdf |
SMILES | MCULE-2240804129.smiles |
Standard InChI | MCULE-2240804129.inchi |
InChIKey | MCULE-2240804129.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-91406 | Chemical Block | Screening Library | 90 | As is | 323 mg |
P-4906794 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 16 mg |
P-34783057 | Crea-Chim | HTS compounds | 90 | As an isomer | by resynthesis (? - ? days) |
P-24078476 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
P-22574528 | TimTec | ActiMol 3 Week | 90 | As an isomer | in stock |
P-2344851 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 60 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 402.227 |
logP | 4.4049 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 90.79 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 106.2844 |
Atoms | 40 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 13 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |