- InChI
- InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m1/s1
- InChI Key
- BCJMNZRQJAVDLD-FXGRWVCYSA-N
- Formula
- C18H25NO6
- SMILES
-
CC=C1CC(C)C(O)(CO)C(=O)OCC2=CC
N3CCC(OC1=O)C23 - Molecular Weight1
- 351.39
- CAS
- 15503-87-4
- 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 | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 0.165 | Crippen Calculated Property | |
| McVol | 259.900 | ml/mol | McGowan Calculated Property |
| Inp | [2607.00; 2640.00] |
|
|
| Inp | 2607.00 | NIST | |
| Inp | 2640.00 | NIST | |
| Inp | 2640.00 | NIST | |
| Inp | 2640.00 | NIST |
Similar Compounds
Find more compounds similar to Usaramine.
Sources
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