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Chemical ID: 6718087
Chemical ID:
6718087
Name [?]:
2-(2,4-dimethylphenyl)-6,8-dimethyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc(c(c1)C)c2cc(c3cc(cc(c3n2)C)C)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-11-5-6-15(13(3)7-11)18-10-17(20(22)23)16-9-12(2)8-14(4)19(16)21-18/h5-10H,1-4H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,20,8,19,3,4,7,15,13,10,2,14,6,16,5,12,11,9,17,21,18,22,23/E:(22,23)/rA:23nCCCCCCCCCCCCCCCCCNCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s16;s14;s11;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18NO2- |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.8405 |
Area: | 499.191 |
Solvation: | -41.3202 |
Coulombic: | -9.38863 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 304.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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