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MCULE-7827260757
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-6124492894
- Component type: Counter Ion
-
1
MCULE-3166658688
- Component type: Unknown
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1
MCULE-9110653553
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7827260757.sdf |
| SMILES | MCULE-7827260757.smiles |
| Standard InChI | MCULE-7827260757.inchi |
| InChIKey | MCULE-7827260757.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 251.122 |
| logP | 3.5569 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 67.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.0214 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
