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UNKNOWN STEREO
MCULE-7139324193
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-6728882368
- Component type: Unknown
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1
MCULE-5146683218
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7139324193.sdf |
| SMILES | MCULE-7139324193.smiles |
| Standard InChI | MCULE-7139324193.inchi |
| InChIKey | MCULE-7139324193.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 847.008 |
| logP | 8.3876 |
| H-bond acceptors | 14 |
| H-bond donors | 4 |
| Rotatable bonds | 24 |
| PSA | 204.77 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 238.733 |
| Atoms | 120 |
| Rings | 5 |
| Heavy atoms | 62 |
| Hydrogen atoms | 58 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
