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Chemical ID: 4253882
Chemical ID:
4253882
Name [?]:
8-chloro-2-(2-pyridyl)quinoline-4-carboxylic acid
SMILES [?]:
c1ccnc(c1)c2cc(c3cccc(c3n2)Cl)C(=O)O
InChi [?]:
InChI=1/C15H9ClN2O2/c16-11-5-3-4-9-10(15(19)20)8-13(18-14(9)11)12-6-1-2-7-17-12/h1-8H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,6,3,8,10,9,14,5,7,15,18,17,4,16,19,20/E:(19,20)/rA:20nCCCNCCCCCCCCCCCNClCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s14;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9ClN2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22575 |
Area: | 454.843 |
Solvation: | -2.14532 |
Coulombic: | -40.034 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 284.697 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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