Chemical ID: 7124333

Cc1ccc(cc1)c2cc(c3cccc(c3n2)C)C(=O)[O-]
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

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Descriptor Annotations

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