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Chemical ID: 7122760
Chemical ID:
7122760
Name [?]:
6-methyl-2-(4-propylphenyl)-quinoline-4-carboxylate
SMILES [?]:
CCCc1ccc(cc1)c2cc(c3cc(ccc3n2)C)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-3-4-14-6-8-15(9-7-14)19-12-17(20(22)23)16-11-13(2)5-10-18(16)21-19/h5-12H,3-4H2,1-2H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,20,2,3,16,5,9,6,8,17,14,11,15,4,7,13,12,18,10,21,19,22,23/E:(6,7)(8,9)(22,23)/rA:23nCCCCCCCCCCCCCCCCCCNCCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s15;s12;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18NO2- |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.2116 |
Area: | 520.501 |
Solvation: | -41.2242 |
Coulombic: | -10.4756 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.19 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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