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MCULE-8535154703
Compound
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- InChIKey:
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- InChI:
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1
MCULE-2354296394
- Component type: Unknown
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1
MCULE-1239293571
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8535154703.sdf |
| SMILES | MCULE-8535154703.smiles |
| Standard InChI | MCULE-8535154703.inchi |
| InChIKey | MCULE-8535154703.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 404.456 |
| logP | 2.8958 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 146.13 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 110.4276 |
| Atoms | 57 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
