Chemical ID: 4110359

COc1ccc2c(c1)ncc(c2O)C(=O)O
Chemical ID:
4110359
Name [?]:
4-hydroxy-7-methoxy-quinoline-3-carboxylic acid
SMILES [?]:
COc1ccc2c(c1)ncc(c2O)C(=O)O
InChi [?]:
InChI=1/C11H9NO4/c1-16-6-2-3-7-9(4-6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,5,8,10,3,6,11,7,12,14,9,13,15,16,2/E:(14,15)/rA:16nCOCCCCCCNCCCOCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.28922
Area:375.265
Solvation:-4.09241
Coulombic:-54.3246
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.193
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.45
LogP (Chemaxon):0.41

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Descriptor Annotations

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