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UNKNOWN STEREO
MCULE-8576451926
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-7848052607
- Component type: Unknown
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1
MCULE-5620069410
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8576451926.sdf |
| SMILES | MCULE-8576451926.smiles |
| Standard InChI | MCULE-8576451926.inchi |
| InChIKey | MCULE-8576451926.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 2262.509 |
| logP | -2.6422 |
| H-bond acceptors | 48 |
| H-bond donors | 26 |
| Rotatable bonds | 32 |
| PSA | 776.08 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 543.7448 |
| Atoms | 330 |
| Rings | 16 |
| Heavy atoms | 158 |
| Hydrogen atoms | 172 |
| Heteroatoms | 48 |
| N/O atoms | 48 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 27 |
| R/S chiral centers | 27 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
