Chemical ID: 4276599

COc1ccc(cc1)C(=O)OCC2CCCN3C2CCCC3
Chemical ID:
4276599
Name [?]:
2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-ylmethyl 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)OCC2CCCN3C2CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H25NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:9.68025
Area:509.251
Solvation:-3.05101
Coulombic:-33.0209
Bond Count [?]
All:24
Single:20
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.396
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.37
LogP (Chemaxon):2.58

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