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MCULE-6292404525
Compound
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- InChIKey:
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- InChI:
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1
MCULE-8340443315
- Component type: Unknown
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1
MCULE-6535031281
- Component type: Unknown
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10
MCULE-8597231550
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6292404525.sdf |
| SMILES | MCULE-6292404525.smiles |
| Standard InChI | MCULE-6292404525.inchi |
| InChIKey | MCULE-6292404525.txt |
| Property | Value |
|---|---|
| Components | 12 |
| Mass | 2926.690 |
| logP | 10.9221 |
| H-bond acceptors | 68 |
| H-bond donors | 26 |
| Rotatable bonds | 137 |
| PSA | 920.32 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 767.6403 |
| Atoms | 468 |
| Rings | 0 |
| Heavy atoms | 203 |
| Hydrogen atoms | 265 |
| Heteroatoms | 68 |
| N/O atoms | 68 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
