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MCULE-6677143989
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-5889111640
- Component type: Counter Ion
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2
MCULE-7300085951
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6677143989.sdf |
| SMILES | MCULE-6677143989.smiles |
| Standard InChI | MCULE-6677143989.inchi |
| InChIKey | MCULE-6677143989.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 360.358 |
| logP | -3.342 |
| H-bond acceptors | 12 |
| H-bond donors | 10 |
| Rotatable bonds | 9 |
| PSA | 248.02 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 80.0312 |
| Atoms | 52 |
| Rings | 0 |
| Heavy atoms | 24 |
| Hydrogen atoms | 28 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
