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UNKNOWN STEREO
MCULE-4594998292
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-3634218509
- Component type: Unknown
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1
MCULE-7234857249
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4594998292.sdf |
| SMILES | MCULE-4594998292.smiles |
| Standard InChI | MCULE-4594998292.inchi |
| InChIKey | MCULE-4594998292.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 435.556 |
| logP | 4.3195 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 132.96 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 125.1007 |
| Atoms | 68 |
| Rings | 2 |
| Heavy atoms | 31 |
| Hydrogen atoms | 37 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
