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UNKNOWN STEREO
MCULE-8143937253
Compound
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- InChIKey:
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- InChI:
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1
MCULE-6286933670
- Component type: Unknown
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1
MCULE-5127577640
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8143937253.sdf |
| SMILES | MCULE-8143937253.smiles |
| Standard InChI | MCULE-8143937253.inchi |
| InChIKey | MCULE-8143937253.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1020.375 |
| logP | 4.2962 |
| H-bond acceptors | 17 |
| H-bond donors | 7 |
| Rotatable bonds | 23 |
| PSA | 255.47 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 275.442 |
| Atoms | 172 |
| Rings | 3 |
| Heavy atoms | 71 |
| Hydrogen atoms | 101 |
| Heteroatoms | 17 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 18 |
| R/S chiral centers | 10 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 8 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
