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MCULE-5029578569
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5396813937
- Component type: Counter Ion
-
1
MCULE-9699231474
- Component type: Unknown
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1
MCULE-7552351427
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5029578569.sdf |
| SMILES | MCULE-5029578569.smiles |
| Standard InChI | MCULE-5029578569.inchi |
| InChIKey | MCULE-5029578569.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 554.405 |
| logP | -0.4385 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 256.66 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 106.2172 |
| Atoms | 52 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 15 |
| Heteroatoms | 15 |
| N/O atoms | 13 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
