Chemical ID: 4215839

Cc1ccc2c(c1)c(cc(n2)C(=O)O)C(=O)O
Chemical ID:
4215839
Name [?]:
6-methylquinoline-2,4-dicarboxylic acid
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C12H9NO4/c1-6-2-3-9-7(4-6)8(11(14)15)5-10(13-9)12(16)17/h2-5H,1H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,2,6,8,5,10,15,12,11,16,17,13,14/E:(14,15)(16,17)/rA:17nCCCCCCCCCCNCOOCOO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;d12;s12;s8;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.28867
Area:394.059
Solvation:-2.56279
Coulombic:-61.1824
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.204
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.28
LogP (Chemaxon):2.03

Name Annotations

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Descriptor Annotations

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