Chemical ID: 4119644

CCOC(=O)C1c2ccccc2CCN1
Chemical ID:
4119644
Name [?]:
ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
SMILES [?]:
CCOC(=O)C1c2ccccc2CCN1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H15NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.27522
Area:378.069
Solvation:-2.17652
Coulombic:-29.42
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.37
LogP (Chemaxon):1.66

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