MCULE-4969837986
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 USD | 90 | 19 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-4969837986.sdf |
SMILES | MCULE-4969837986.smiles |
Standard InChI | MCULE-4969837986.inchi |
InChIKey | MCULE-4969837986.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-19073027 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-694165 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 116 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 292.355 |
logP | 2.8357 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 9 |
PSA | 99.58 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 76.0764 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |