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Chemical ID: 7085849
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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