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MCULE-4549136878
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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2
MCULE-9976402631
- Component type: Counter Ion
-
1
MCULE-1431015236
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4549136878.sdf |
| SMILES | MCULE-4549136878.smiles |
| Standard InChI | MCULE-4549136878.inchi |
| InChIKey | MCULE-4549136878.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 244.089 |
| logP | 1.9027 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 34.3026 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 6 |
| Heteroatoms | 10 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
