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MCULE-8553541975
Compound
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- InChIKey:
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- InChI:
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1
MCULE-2088809384
- Component type: Unknown
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1
MCULE-2878617545
- Component type: Unknown
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1
MCULE-1133524094
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8553541975.sdf |
| SMILES | MCULE-8553541975.smiles |
| Standard InChI | MCULE-8553541975.inchi |
| InChIKey | MCULE-8553541975.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 480.502 |
| logP | 1.5081 |
| H-bond acceptors | 12 |
| H-bond donors | 0 |
| Rotatable bonds | 18 |
| PSA | 157.8 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 114.999 |
| Atoms | 69 |
| Rings | 0 |
| Heavy atoms | 33 |
| Hydrogen atoms | 36 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
