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MCULE-4786727484
Compound
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- InChIKey:
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- InChI:
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1
MCULE-7978495381
- Component type: Unknown
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1
MCULE-6971631162
- Component type: Unknown
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1
MCULE-9077867311
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4786727484.sdf |
| SMILES | MCULE-4786727484.smiles |
| Standard InChI | MCULE-4786727484.inchi |
| InChIKey | MCULE-4786727484.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1234.559 |
| logP | 16.62128 |
| H-bond acceptors | 14 |
| H-bond donors | 2 |
| Rotatable bonds | 22 |
| PSA | 253.1 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 347.3636 |
| Atoms | 171 |
| Rings | 9 |
| Heavy atoms | 88 |
| Hydrogen atoms | 83 |
| Heteroatoms | 16 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
