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MCULE-4598669285
Compound
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- InChIKey:
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- InChI:
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2
MCULE-3813409820
- Component type: Unknown
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1
MCULE-5314690471
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4598669285.sdf |
| SMILES | MCULE-4598669285.smiles |
| Standard InChI | MCULE-4598669285.inchi |
| InChIKey | MCULE-4598669285.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 530.456 |
| logP | 1.4419 |
| H-bond acceptors | 10 |
| H-bond donors | 8 |
| Rotatable bonds | 8 |
| PSA | 179.58 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 115.5292 |
| Atoms | 67 |
| Rings | 2 |
| Heavy atoms | 35 |
| Hydrogen atoms | 32 |
| Heteroatoms | 16 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
