Chemical ID: 7182374

CCCCOc1cccc(c1)c2cc(c3ccccc3n2)C(=O)[O-]
Chemical ID:
7182374
Name [?]:
2-(3-butoxyphenyl)quinoline-4-carboxylate
SMILES [?]:
CCCCOc1cccc(c1)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C20H19NO3/c1-2-3-11-24-15-8-6-7-14(12-15)19-13-17(20(22)23)16-9-4-5-10-18(16)21-19/h4-10,12-13H,2-3,11H2,1H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,17,18,8,9,7,16,19,4,11,13,10,6,15,14,20,12,22,21,23,24,5/E:(22,23)/rA:24nCCCCOCCCCCCCCCCCCCCCNCOO-/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO3-
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-28.6178
Area:544.776
Solvation:-42.2373
Coulombic:-17.7261
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.362
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.55
LogP (Chemaxon):4.69

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Descriptor Annotations

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