Chemical ID: 5182001

COc1ccc(cc1)CNCC(=O)OCc2ccccc2
Chemical ID:
5182001
Name [?]:
benzyl 2-[(4-methoxyphenyl)methylamino]acetate
SMILES [?]:
COc1ccc(cc1)CNCC(=O)OCc2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H19NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.86361
Area:525.35
Solvation:-4.27014
Coulombic:-36.7518
Bond Count [?]
All:22
Single:15
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.338
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.86
LogP (Chemaxon):2.67

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