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UNKNOWN STEREO
MCULE-8260809699
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-3833394421
- Component type: Counter Ion
-
1
MCULE-5932450224
- Component type: Counter Ion
-
1
MCULE-4649420265
- Component type: Unknown
-
1
MCULE-5710225015
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8260809699.sdf |
| SMILES | MCULE-8260809699.smiles |
| Standard InChI | MCULE-8260809699.inchi |
| InChIKey | MCULE-8260809699.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-505494863 | 95 | As is | in stock |
| P-500377175 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 624.639 |
| logP | -2.7743 |
| H-bond acceptors | 14 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 250.99 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 137.5999 |
| Atoms | 67 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 26 |
| Heteroatoms | 17 |
| N/O atoms | 14 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
