- InChI
- InChI=1S/C24H30N2O3/c27-23-8-4-7-21-18-13-19(16-26(21)23)22-14-20(11-12-25(22)15-18)29-24(28)10-9-17-5-2-1-3-6-17/h1-3,5-6,9-10,18-22H,4,7-8,11-16H2/b10-9+/t18?,19?,20?,21-,22+/m1/s1
- InChI Key
- PUFYZCKVLOYPHL-KVXFRRANSA-N
- Formula
- C24H30N2O3
- SMILES
-
O=C(C=Cc1ccccc1)OC1CCN2CC3CC(C
N4C(=O)CCCC34)C2C1 - Molecular Weight1
- 394.51
- 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 | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 3.107 | Crippen Calculated Property | |
| McVol | 306.490 | ml/mol | McGowan Calculated Property |
| Inp | 3390.00 | NIST |
Similar Compounds
Find more compounds similar to 13-Trans-cinnamoyloxylupanine.
Sources
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