Chemical ID: 5693095

COc1cc2c(cc1OC)C[NH+](CC2)Cc3cccc4c3cccc4
Chemical ID:
5693095
Name [?]:
6,7-dimethoxy-2-(1-naphthylmethyl)-3,4-dihydro-1H-isoquinoline
SMILES [?]:
COc1cc2c(cc1OC)C[NH+](CC2)Cc3cccc4c3cccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24NO2+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:-21.6111
Area:534.304
Solvation:-34.9687
Coulombic:15.7524
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.431
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.16
LogP (Chemaxon):4.19

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue