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Chemical ID: 4121639
Chemical ID:
4121639
Name [?]:
6-fluoro-4-hydroxy-quinoline-3-carboxylic acid
SMILES [?]:
c1cc2c(cc1F)c(c(cn2)C(=O)O)O
InChi [?]:
InChI=1/C10H6FNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,6,4,9,3,8,12,7,11,15,13,14/E:(14,15)/rA:15nCCCCCCFCCCNCOOO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;s3d10;s9;d12;s12;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6FNO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.89317 |
Area: | 344.751 |
Solvation: | -3.72562 |
Coulombic: | -50.6295 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.158 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.69 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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