MCULE-3654166896-1
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 89 USD | 90 | 17 working days | Get Quote |
5 mg | 97 USD | 90 | 17 working days | Get Quote |
10 mg | 148 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-3654166896-1.sdf |
SMILES | MCULE-3654166896-1.smiles |
Standard InChI | MCULE-3654166896-1.inchi |
InChIKey | MCULE-3654166896-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-891666016 | AmBeed | On request | N/A | As is | by synthesis |
P-675188499 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 46 mg |
P-869402605 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-448676645 | ChemDiv | Discovery Chemistry Library | 90 | As is | 135 mg |
P-873243382 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-888172759 | Molnova | On demand | 98 | As is | by synthesis |
P-892308982 | TargetMol | Natural Products | 95 | As is | in stock |
P-869172570 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-888663902 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 297.347 |
logP | 2.556 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 47.56 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 87.4827 |
Atoms | 41 |
Rings | 4 |
Heavy atoms | 22 |
Hydrogen atoms | 19 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |