MCULE-1330225186
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 1706 USD | N/A | 36 working days | Get Quote |
5 mg | 1706 USD | N/A | 36 working days | Get Quote |
10 mg | 1706 USD | N/A | 36 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-1330225186.sdf |
SMILES | MCULE-1330225186.smiles |
Standard InChI | MCULE-1330225186.inchi |
InChIKey | MCULE-1330225186.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867386281 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-890050850 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-503008773 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-852623011 | Matrix Scientific | All | N/A | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 233.262 |
logP | 2.2221 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 63.78 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 52.9947 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
N/O atoms | 4 |
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 |