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MCULE-2900307872
Compound
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| Name | File |
|---|---|
| SDF | MCULE-2900307872.sdf |
| SMILES | MCULE-2900307872.smiles |
| Standard InChI | MCULE-2900307872.inchi |
| InChIKey | MCULE-2900307872.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-12828644 | InterBioScreen | Screening Compounds | 92 | As is | in stock | November 2, 2012 |
| P-12895944 | Otava | In-House Stock Library | 90 | As is | in stock | November 2, 2012 |
| P-617701408 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | in stock | November 19, 2021 |
| P-674636837 | Pharmeks | Synthetic compounds | 92 | As is | in stock | May 24, 2021 |
| P-19109004 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | May 30, 2013 |
| P-25056820 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 341 mg | August 9 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 449.062 |
| logP | 4.2356 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 94.91 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 104.6568 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 9 |
| Heteroatoms | 10 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
