- InChI
- InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3/t11?,12-,13-,15-,17?,18?/m1/s1
- InChI Key
- DNEINKNDPRUHLP-FBPIHTPSSA-N
- Formula
- C18H27NO5
- SMILES
-
CC1CC2(C)CC(=O)OC3CCN4CCC(COC(
=O)C1(C)O2)C34 - Molecular Weight1
- 337.41
- 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 | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 1.513 | Crippen Calculated Property | |
| McVol | 251.770 | ml/mol | McGowan Calculated Property |
| Inp | [2320.00; 2344.00] |
|
|
| Inp | 2320.00 | NIST | |
| Inp | 2340.00 | NIST | |
| Inp | 2344.00 | NIST | |
| Inp | 2325.00 | NIST |
Similar Compounds
Find more compounds similar to Nemorensine-isomer.
Sources
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