Chemical ID: 7086360

Cc1c(ccc2c1nc(c(c2C(=O)O)C)c3cccc(c3)Cl)Cl
Chemical ID:
7086360
Name [?]:
7-chloro-2-(3-chlorophenyl)-3,8-dimethyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1c(ccc2c1nc(c(c2C(=O)O)C)c3cccc(c3)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl2NO2/c1-9-14(20)7-6-13-15(18(22)23)10(2)16(21-17(9)13)11-4-3-5-12(19)8-11/h3-8H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,18,17,19,5,4,21,2,10,16,20,6,3,11,9,7,12,22,23,8,13,14/E:(22,23)/rA:23nCCCCCCCNCCCCOOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s10;s9;s16;d17;s18;d19;d16s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl2NO2
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0765
Area:522.5
Solvation:-1.98599
Coulombic:-35.3529
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.207
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.47
LogP (Chemaxon):5.71

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