Chemical ID: 4253882

c1ccnc(c1)c2cc(c3cccc(c3n2)Cl)C(=O)O
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

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