Chemical ID: 5111268

COc1ccc(cc1OC)CNCCC(=O)O
Chemical ID:
5111268
Name [?]:
3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid
SMILES [?]:
COc1ccc(cc1OC)CNCCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H17NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.57118
Area:449.414
Solvation:-5.66418
Coulombic:-48.2778
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:239.268
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.64
LogP (Chemaxon):-1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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