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MCULE-3579509435
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5837499572
- Component type: Unknown
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5
MCULE-3698902523
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3579509435.sdf |
| SMILES | MCULE-3579509435.smiles |
| Standard InChI | MCULE-3579509435.inchi |
| InChIKey | MCULE-3579509435.txt |
| Property | Value |
|---|---|
| Components | 6 |
| Mass | 1095.391 |
| logP | -0.0978 |
| H-bond acceptors | 33 |
| H-bond donors | 23 |
| Rotatable bonds | 22 |
| PSA | 737.47 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 212.4905 |
| Atoms | 119 |
| Rings | 0 |
| Heavy atoms | 60 |
| Hydrogen atoms | 59 |
| Heteroatoms | 43 |
| N/O atoms | 33 |
| 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 |
