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Chemical ID: 6170648
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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