4-(5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol
PubChem CID: 600681
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 50.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C17H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IZZKMFBIJVLUFA-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -2.261 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.639 |
| Compound Name | 4-(5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 283.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 283.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.632584542857143 |
| Inchi | InChI=1S/C17H17NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-4,8-9,15,18-19H,5-7,10H2 |
| Smiles | C1CNC(C2=CC3=C(C=C21)OCO3)CC4=CC=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Glauca (Plant) Rel Props:Source_db:cmaup_ingredients