Chemical ID: 7145677

c1ccc(cc1)COc2ccc(cc2)c3cc(c4ccccc4n3)C(=O)[O-]
Chemical ID:
7145677
Name [?]:
2-(4-benzyloxyphenyl)quinoline-4-carboxylate
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)c3cc(c4ccccc4n3)C(=O)[O-]
InChi [?]:
InChI=1/C23H17NO3/c25-23(26)20-14-22(24-21-9-5-4-8-19(20)21)17-10-12-18(13-11-17)27-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,25,26)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,11,13,10,14,16,7,4,12,9,18,17,23,15,25,24,26,27,8/E:(2,3)(6,7)(10,11)(12,13)(25,26)/rA:27nCCCCCCCOCCCCCCCCCCCCCCCNCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;s17;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16NO3-
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-27.9554
Area:574.392
Solvation:-42.3151
Coulombic:-18.9975
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.378
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.91
LogP (Chemaxon):5.26

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Descriptor Annotations

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