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MCULE-3920492739-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-6470444993-0
- Component type: Unknown
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1
MCULE-1939282084-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3920492739-0.sdf |
| SMILES | MCULE-3920492739-0.smiles |
| Standard InChI | MCULE-3920492739-0.inchi |
| InChIKey | MCULE-3920492739-0.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1466.331 |
| logP | -12.5579 |
| H-bond acceptors | 42 |
| H-bond donors | 23 |
| Rotatable bonds | 10 |
| PSA | 662.03 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 314.2083 |
| Atoms | 183 |
| Rings | 11 |
| Heavy atoms | 100 |
| Hydrogen atoms | 83 |
| Heteroatoms | 43 |
| N/O atoms | 42 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 35 |
| R/S chiral centers | 35 |
| 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 |
