- InChI
- InChI=1S/C16H21NO3/c18-14-7-9-17-8-6-13(16(14)17)11-20-15(19)10-12-4-2-1-3-5-12/h1-5,13-14,16,18H,6-11H2/t13-,14-,16?/m0/s1
- InChI Key
- JXZUYJXDSHOAGV-ADTLFGHVSA-N
- Formula
- C16H21NO3
- SMILES
-
O=C(Cc1ccccc1)OCC1CCN2CCC(O)C1
2 - Molecular Weight1
- 275.34
- 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 | -2.09 | Crippen Calculated Property | |
| logPoct/wat | 1.227 | Crippen Calculated Property | |
| McVol | 214.110 | ml/mol | McGowan Calculated Property |
| Inp | [2212.00; 2212.00] |
|
|
| Inp | 2212.00 | NIST | |
| Inp | 2212.00 | NIST | |
| Inp | 2212.00 | NIST |
Similar Compounds
Find more compounds similar to Ipanguline D7.
Sources
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