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Chemical ID: 7145677
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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