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Chemical ID: 5871745
Chemical ID:
5871745
Name [?]:
6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILES [?]:
c1cc2c(cc1F)c(=O)c(c[nH]2)C(=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:1,2,5,11,6,4,10,3,8,13,7,12,9,14,15/E:(14,15)/rA:15nCCCCCCFCOCCNCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;d10;s3s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6FNO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.79905 |
Area: | 346.189 |
Solvation: | -3.85568 |
Coulombic: | -48.5641 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.158 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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