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MCULE-9540801837
Compound
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- InChIKey:
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- InChI:
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1
MCULE-9745089658
- Component type: Unknown
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5
MCULE-6063024683
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9540801837.sdf |
| SMILES | MCULE-9540801837.smiles |
| Standard InChI | MCULE-9540801837.inchi |
| InChIKey | MCULE-9540801837.txt |
| Property | Value |
|---|---|
| Components | 6 |
| Mass | 1348.186 |
| logP | 4.3113 |
| H-bond acceptors | 34 |
| H-bond donors | 19 |
| Rotatable bonds | 30 |
| PSA | 575.18 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 332.2562 |
| Atoms | 158 |
| Rings | 7 |
| Heavy atoms | 97 |
| Hydrogen atoms | 61 |
| Heteroatoms | 34 |
| N/O atoms | 34 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
