Chemical ID: 7183047

CCCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)[O-]
Chemical ID:
7183047
Name [?]:
2-(4-butylphenyl)quinoline-4-carboxylate
SMILES [?]:
CCCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-2-3-6-14-9-11-15(12-10-14)19-13-17(20(22)23)16-7-4-5-8-18(16)21-19/h4-5,7-13H,2-3,6H2,1H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,16,17,4,15,18,6,10,7,9,12,5,8,14,13,19,11,21,20,22,23/E:(9,10)(11,12)(22,23)/rA:23nCCCCCCCCCCCCCCCCCCCNCOO-/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO2-
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-27.956
Area:522.88
Solvation:-41.028
Coulombic:-11.0896
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.362
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.33
LogP (Chemaxon):5.39

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Descriptor Annotations

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