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Chemical ID: 7122548
Chemical ID:
7122548
Name [?]:
2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1c(c2ccccc2nc1c3ccc(cc3Cl)Cl)C(=O)[O-]
InChi [?]:
InChI=1/C17H11Cl2NO2/c1-9-15(17(21)22)12-4-2-3-5-14(12)20-16(9)11-7-6-10(18)8-13(11)19/h2-8H,1H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,14,13,16,2,15,12,4,17,9,3,11,20,19,18,10,21,22/E:(21,22)/rA:22nCCCCCCCCCNCCCCCCCClClCOO-/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl2NO2- |
All Atoms: | 32 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -29.6964 |
Area: | 496.831 |
Solvation: | -42.1171 |
Coulombic: | -9.70625 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.172 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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