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MCULE-2487923192
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-4312281987
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2487923192.sdf |
| SMILES | MCULE-2487923192.smiles |
| Standard InChI | MCULE-2487923192.inchi |
| InChIKey | MCULE-2487923192.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-588724703 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.313 |
| logP | 2.6365 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 89.8 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 62.2481 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 16 |
| 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 |
