- InChI
- InChI=1S/C21H29NO5/c1-15(27-19(23)13-16-7-4-3-5-8-16)21(2,25)20(24)26-14-17-10-12-22-11-6-9-18(17)22/h3-5,7-8,15,17-18,25H,6,9-14H2,1-2H3/t15-,17-,18-,21-/m1/s1
- InChI Key
- FRWUADKGCTWWAT-QTQZEZTPSA-N
- Formula
- C21H29NO5
- SMILES
-
CC(OC(=O)Cc1ccccc1)C(C)(O)C(=O
)OCC1CCN2CCCC12 - Molecular Weight1
- 375.46
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 1.939 | Crippen Calculated Property | |
| McVol | 292.000 | ml/mol | McGowan Calculated Property |
| Inp | [2526.00; 2526.00] |
|
|
| Inp | 2526.00 | NIST | |
| Inp | 2526.00 | NIST |
Similar Compounds
Find more compounds similar to Minalobine R.
Sources
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