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MCULE-7483524201
Compound
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- InChIKey:
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- InChI:
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1
MCULE-2887166131
- Component type: Unknown
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1
MCULE-3632894751
- Component type: Unknown
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1
MCULE-1719756319
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7483524201.sdf |
| SMILES | MCULE-7483524201.smiles |
| Standard InChI | MCULE-7483524201.inchi |
| InChIKey | MCULE-7483524201.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 445.969 |
| logP | 4.2152 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 177.24 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 121.3738 |
| Atoms | 57 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
