Chemical ID: 7122813

CCCc1ccc(cc1)c2cc(c3cccc(c3n2)C)C(=O)[O-]
Chemical ID:
7122813
Name [?]:
8-methyl-2-(4-propylphenyl)-quinoline-4-carboxylate
SMILES [?]:
CCCc1ccc(cc1)c2cc(c3cccc(c3n2)C)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO2/c1-3-5-14-8-10-15(11-9-14)18-12-17(20(22)23)16-7-4-6-13(2)19(16)21-18/h4,6-12H,3,5H2,1-2H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,20,2,15,3,16,14,5,9,6,8,11,17,4,7,13,12,10,18,21,19,22,23/E:(8,9)(10,11)(22,23)/rA:23nCCCCCCCCCCCCCCCCCCNCCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s17;s12;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO2-
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-28.3687
Area:513.71
Solvation:-41.2115
Coulombic:-10.6422
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:4.98
LogP (Chemaxon):5.46

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Descriptor Annotations

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