- InChI
- InChI=1S/C20H27NO3/c1-13(2)4-5-14-10-15(6-9-19(14)22)20(23)24-18-11-16-7-8-17(12-18)21(16)3/h4,6,9-10,16-18,22H,5,7-8,11-12H2,1-3H3/t16-,17+,18+
- InChI Key
- WDYARZUQOMDODE-PIIMJCKOSA-N
- Formula
- C20H27NO3
- SMILES
-
CC(C)=CCc1cc(C(=O)OC2CC3CCC(C2
)N3C)ccc1O - Molecular Weight1
- 329.43
- 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 | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 3.683 | Crippen Calculated Property | |
| McVol | 266.170 | ml/mol | McGowan Calculated Property |
| Inp | 2685.00 | NIST |
Similar Compounds
Find more compounds similar to Merresectine E.
Sources
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