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MCULE-2057017963
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5038636902
- Component type: Unknown
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2
MCULE-6627376273
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-2057017963.sdf |
| SMILES | MCULE-2057017963.smiles |
| Standard InChI | MCULE-2057017963.inchi |
| InChIKey | MCULE-2057017963.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 457.413 |
| logP | 1.1471 |
| H-bond acceptors | 13 |
| H-bond donors | 8 |
| Rotatable bonds | 9 |
| PSA | 255.35 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 110.3721 |
| Atoms | 62 |
| Rings | 1 |
| Heavy atoms | 30 |
| Hydrogen atoms | 32 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| 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 |
