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MCULE-4564507682-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-6152801555-0
- Component type: Counter Ion
-
1
MCULE-3297948557-0
- Component type: Unknown
-
1
MCULE-3197489309-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4564507682-0.sdf |
| SMILES | MCULE-4564507682-0.smiles |
| Standard InChI | MCULE-4564507682-0.inchi |
| InChIKey | MCULE-4564507682-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-55312 | Chemical Block | Screening Library | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 751.975 |
| logP | 2.24088 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 52.97 |
| RO5 violations | 1 |
| RO3 violations | 1 |
| Refractivity | 127.536 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
