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MCULE-9472395971
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-2357780589
- Component type: Unknown
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1
MCULE-5243446439
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9472395971.sdf |
| SMILES | MCULE-9472395971.smiles |
| Standard InChI | MCULE-9472395971.inchi |
| InChIKey | MCULE-9472395971.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 557.273 |
| logP | 7.3141 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 134.3 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 124.3258 |
| Atoms | 40 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 14 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| 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 |
