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UNKNOWN STEREO
MCULE-4015985299
Compound
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- InChIKey:
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1
MCULE-5396813937
- Component type: Counter Ion
-
1
MCULE-6060465176
- Component type: Unknown
-
1
MCULE-9711164583
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4015985299.sdf |
| SMILES | MCULE-4015985299.smiles |
| Standard InChI | MCULE-4015985299.inchi |
| InChIKey | MCULE-4015985299.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500372253 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1003.157 |
| logP | 4.1775 |
| H-bond acceptors | 18 |
| H-bond donors | 4 |
| Rotatable bonds | 22 |
| PSA | 303.2 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 246.1542 |
| Atoms | 123 |
| Rings | 3 |
| Heavy atoms | 67 |
| Hydrogen atoms | 56 |
| Heteroatoms | 23 |
| N/O atoms | 18 |
| Inorganic atoms | 1 |
| Halogen atoms | 2 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 5 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 5 |
| Undefined stereo double bonds | 0 |
