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Chemical ID: 7124333
Chemical ID:
7124333
Name [?]:
8-methyl-2-(p-tolyl)quinoline-4-carboxylate
SMILES [?]:
Cc1ccc(cc1)c2cc(c3cccc(c3n2)C)C(=O)[O-]
InChi [?]:
InChI=1/C18H15NO2/c1-11-6-8-13(9-7-11)16-10-15(18(20)21)14-5-3-4-12(2)17(14)19-16/h3-10H,1-2H3,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,18,13,14,12,3,7,4,6,9,2,15,5,11,10,8,16,19,17,20,21/E:(6,7)(8,9)(20,21)/rA:21nCCCCCCCCCCCCCCCCNCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s15;s10;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14NO2- |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -29.6016 |
Area: | 463.724 |
Solvation: | -41.1947 |
Coulombic: | -9.94842 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 276.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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