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UNKNOWN STEREO
MCULE-6151338052
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-6152801555
- Component type: Counter Ion
-
1
MCULE-7228063662
- Component type: Unknown
-
1
MCULE-6844368986
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6151338052.sdf |
| SMILES | MCULE-6151338052.smiles |
| Standard InChI | MCULE-6151338052.inchi |
| InChIKey | MCULE-6151338052.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 325.236 |
| logP | 1.7453 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 127.42 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 67.9752 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
