Chemical ID: 6689695

COc1cc2c(cc1OC)CNC(C2)C(=O)O
Chemical ID:
6689695
Name [?]:
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILES [?]:
COc1cc2c(cc1OC)CNC(C2)C(=O)O
InChi [?]:
InChI=1/C12H15NO4/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2/h4-5,9,13H,3,6H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,14,4,7,11,5,6,13,3,8,15,12,16,17,2,9/E:(14,15)/rA:17cCOCCCCCCOCCNCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:4.39241
Area:408.275
Solvation:-5.81447
Coulombic:-48.5871
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.252
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.43
LogP (Chemaxon):-1.67

Name Annotations

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Descriptor Annotations

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