Chemical ID: 6170648

c1ccc2c(c1)cc(c(n2)C(=O)O)C(=O)O
Chemical ID:
6170648
Name [?]:
quinoline-2,3-dicarboxylic acid
SMILES [?]:
c1ccc2c(c1)cc(c(n2)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C11H7NO4/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16/h1-5H,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,8,4,9,14,11,10,15,16,12,13/E:(13,14)(15,16)/rA:16nCCCCCCCCCNCOOCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;d11;s11;s8;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.38531
Area:370.482
Solvation:-2.87675
Coulombic:-60.8339
Bond Count [?]
All:17
Single:10
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.178
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.72
LogP (Chemaxon):1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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