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UNKNOWN STEREO
MCULE-7145992312
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-4801748188
- Component type: Unknown
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1
MCULE-6096209142
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7145992312.sdf |
| SMILES | MCULE-7145992312.smiles |
| Standard InChI | MCULE-7145992312.inchi |
| InChIKey | MCULE-7145992312.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1219.102 |
| logP | -2.2463 |
| H-bond acceptors | 30 |
| H-bond donors | 16 |
| Rotatable bonds | 14 |
| PSA | 472.49 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 285.2311 |
| Atoms | 152 |
| Rings | 10 |
| Heavy atoms | 86 |
| Hydrogen atoms | 66 |
| Heteroatoms | 30 |
| N/O atoms | 30 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 11 |
| R/S chiral centers | 11 |
| 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 |
