Chemical ID: 5789012

c1ccc2c(c1)c(cc(n2)c3cc(c4ccccc4n3)C(=O)[O-])C(=O)[O-]
Chemical ID:
5789012
Name [?]:
2-(4-carboxylato-2-quinolyl)quinoline-4-carboxylate
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3cc(c4ccccc4n3)C(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26)/p-2
InChi Info:
AuxInfo=1/1/N:1,16,2,17,6,15,3,18,8,12,5,14,7,13,4,19,9,11,24,21,10,20,25,26,22,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24,25,26)/gE:(1,2)/rA:26nCCCCCCCCCNCCCCCCCCCNCOO-COO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s13;d21;s21;s7;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H10N2O4-2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-84.0937
Area:528.942
Solvation:-97.3172
Coulombic:-0.919082
Bond Count [?]
All:29
Single:17
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.304
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.61
LogP (Chemaxon):3.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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