Chemical ID: 5178758

Cc1c(c2ccc(cc2nc1c3ccc(cc3)Cl)Cl)C(=O)O
Chemical ID:
5178758
Name [?]:
7-chloro-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1c(c2ccc(cc2nc1c3ccc(cc3)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C17H11Cl2NO2/c1-9-15(17(21)22)13-7-6-12(19)8-14(13)20-16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,13,17,14,16,6,5,8,2,12,15,7,4,9,3,11,20,18,19,10,21,22/E:(2,3)(4,5)(21,22)/rA:22nCCCCCCCCCNCCCCCCCClClCOO/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s15;s7;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11Cl2NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7243
Area:510.314
Solvation:-2.0335
Coulombic:-35.2511
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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