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Chemical ID: 4159484
Chemical ID:
4159484
Name [?]:
6-fluoro-2-methyl-quinoline-3-carboxylic acid
SMILES [?]:
Cc1c(cc2cc(ccc2n1)F)C(=O)O
InChi [?]:
InChI=1/C11H8FNO2/c1-6-9(11(14)15)5-7-4-8(12)2-3-10(7)13-6/h2-5H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,9,6,4,2,5,7,3,10,13,12,11,14,15/E:(14,15)/rA:15nCCCCCCCCCCNFCOO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8FNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0911 |
Area: | 347.913 |
Solvation: | -2.60673 |
Coulombic: | -35.9275 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 205.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.22 |
LogP (Chemaxon): | 0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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