- InChI
- InChI=1S/C12H21NO3/c1-2-3-11(15)16-8-9-4-6-13-7-5-10(14)12(9)13/h9-10,12,14H,2-8H2,1H3/t9-,10-,12?/m0/s1
- InChI Key
- XHOXLWVKPKHLFN-HVFQMFNGSA-N
- Formula
- C12H21NO3
- SMILES
- CCCC(=O)OCC1CCN2CCC(O)C12
- Molecular Weight1
- 227.30
- 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 | -1.31 | Crippen Calculated Property | |
| logPoct/wat | 0.785 | Crippen Calculated Property | |
| McVol | 181.510 | ml/mol | McGowan Calculated Property |
| Inp | [1703.00; 1703.00] |
|
|
| Inp | 1703.00 | NIST | |
| Inp | 1703.00 | NIST |
Similar Compounds
Find more compounds similar to Ipanguline D1.
Sources
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