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Chemical ID: 4222036
Chemical ID:
4222036
Name [?]:
2-(2-pyridyl)quinoline-4-carboxylate
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3ccccn3)C(=O)[O-]
InChi [?]:
InChI=1/C15H10N2O2/c18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12/h1-9H,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,14,6,3,12,15,8,5,7,4,11,9,17,16,10,18,19/E:(18,19)/rA:19nCCCCCCCCCNCCCCCNCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s7;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9N2O2- |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.3617 |
Area: | 424.626 |
Solvation: | -41.9774 |
Coulombic: | -13.8363 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 249.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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