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MCULE-3687017934
Compound
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- InChIKey:
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- InChI:
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1
MCULE-8047713803
- Component type: Unknown
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1
MCULE-7997797852
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3687017934.sdf |
| SMILES | MCULE-3687017934.smiles |
| Standard InChI | MCULE-3687017934.inchi |
| InChIKey | MCULE-3687017934.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 524.589 |
| logP | 3.6722 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 197.88 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 126.3041 |
| Atoms | 63 |
| Rings | 3 |
| Heavy atoms | 34 |
| Hydrogen atoms | 29 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| 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 |
