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MCULE-6198309981
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-3942664729
- Component type: Unknown
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1
MCULE-3405984699
- Component type: Unknown
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1
MCULE-4661873606
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6198309981.sdf |
| SMILES | MCULE-6198309981.smiles |
| Standard InChI | MCULE-6198309981.inchi |
| InChIKey | MCULE-6198309981.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1536.878 |
| logP | 20.2568 |
| H-bond acceptors | 18 |
| H-bond donors | 0 |
| Rotatable bonds | 29 |
| PSA | 164.13 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 458.353 |
| Atoms | 217 |
| Rings | 13 |
| Heavy atoms | 114 |
| Hydrogen atoms | 103 |
| Heteroatoms | 18 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 3 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
