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MCULE-9395892951
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-9235024485
- Component type: Unknown
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1
MCULE-2794856586
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9395892951.sdf |
| SMILES | MCULE-9395892951.smiles |
| Standard InChI | MCULE-9395892951.inchi |
| InChIKey | MCULE-9395892951.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 643.449 |
| logP | -0.7505 |
| H-bond acceptors | 16 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 205.86 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 161.8149 |
| Atoms | 69 |
| Rings | 6 |
| Heavy atoms | 42 |
| Hydrogen atoms | 27 |
| Heteroatoms | 17 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
