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UNKNOWN STEREO
MCULE-1133955731
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-8042162865
- Component type: Unknown
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1
MCULE-7791919887
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1133955731.sdf |
| SMILES | MCULE-1133955731.smiles |
| Standard InChI | MCULE-1133955731.inchi |
| InChIKey | MCULE-1133955731.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 367.522 |
| logP | 5.779 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 100.62 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 110.004 |
| Atoms | 63 |
| Rings | 0 |
| Heavy atoms | 26 |
| Hydrogen atoms | 37 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 3 |
| Undefined stereo double bonds | 0 |
