- InChI
- InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
- InChI Key
- JTUQXGZRVLWBCR-UHFFFAOYSA-N
- Formula
- C21H27NO
- SMILES
-
CC(COc1ccccc1Cc1ccccc1)N1CCCCC
1 - Molecular Weight1
- 309.45
- CAS
- 2156-27-6
- 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 | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 4.531 | Crippen Calculated Property | |
| McVol | 264.220 | ml/mol | McGowan Calculated Property |
| Inp | 2385.00 | NIST |
Similar Compounds
Find more compounds similar to Benproperine.
Sources
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