MCULE-7213860243
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 140 USD | 90 | 22 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-7213860243.sdf |
SMILES | MCULE-7213860243.smiles |
Standard InChI | MCULE-7213860243.inchi |
InChIKey | MCULE-7213860243.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-6605794 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 20 mg |
P-638405067 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 294.321 |
logP | 2.6436 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 58.64 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 80.7327 |
Atoms | 40 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 19 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |