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Chemical ID: 6922010
Chemical ID:
6922010
Name [?]:
6-fluoro-2-(3-pyridyl)quinoline-4-carboxylate
SMILES [?]:
c1cc(cnc1)c2cc(c3cc(ccc3n2)F)C(=O)[O-]
InChi [?]:
InChI=1/C15H9FN2O2/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9/h1-8H,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,14,6,11,8,4,3,12,10,9,15,7,18,17,5,16,19,20/E:(19,20)/rA:20nCCCCNCCCCCCCCCCNFCOO-/rB:s1;d2;s3;d4;d1s5;s3;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8FN2O2- |
All Atoms: | 28 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.1775 |
Area: | 431.37 |
Solvation: | -40.9617 |
Coulombic: | -17.6536 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.235 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.2 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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