Chemical ID: 5242272

Cc1c(c(c2cc(ccc2n1)O)C(=O)O)C(=O)O
Chemical ID:
5242272
Name [?]:
6-hydroxy-2-methyl-quinoline-3,4-dicarboxylic acid
SMILES [?]:
Cc1c(c(c2cc(ccc2n1)O)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C12H9NO5/c1-5-9(11(15)16)10(12(17)18)7-4-6(14)2-3-8(7)13-5/h2-4,14H,1H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,9,6,2,7,5,10,3,4,16,13,11,12,17,18,14,15/E:(15,16)(17,18)/rA:18nCCCCCCCCCCNOCOOCOO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s4;d13;s13;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.31235
Area:401.925
Solvation:-3.73577
Coulombic:-73.1254
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.204
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.26
LogP (Chemaxon):0.91

Name Annotations

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Descriptor Annotations

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