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Chemical ID: 5178758
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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