Chemical ID: 7085849

Cc1c(c2cccc(c2nc1c3cccc(c3)Cl)Cl)C(=O)O
Chemical ID:
7085849
Name [?]:
8-chloro-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1c(c2cccc(c2nc1c3cccc(c3)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C17H11Cl2NO2/c1-9-14(17(21)22)12-6-3-7-13(19)16(12)20-15(9)10-4-2-5-11(18)8-10/h2-8H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,14,6,13,15,5,7,17,2,12,16,4,8,3,11,9,20,18,19,10,21,22/E:(21,22)/rA:22nCCCCCCCCCNCCCCCCCClClCOO/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s16;s8;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11Cl2NO2
All Atoms:33
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4755
Area:503.652
Solvation:-2.11582
Coulombic:-35.6272
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:332.18
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.24
LogP (Chemaxon):5.24

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Descriptor Annotations

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