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Chemical ID: 7085710
Chemical ID:
7085710
Name [?]:
7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILES [?]:
c1c2c(cc(c1F)Cl)[nH]cc(c2=O)C(=O)O
InChi [?]:
InChI=1/C10H5ClFNO3/c11-6-2-8-4(1-7(6)12)9(14)5(3-13-8)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,10,2,11,5,6,3,12,14,8,7,9,13,15,16/E:(15,16)/rA:16nCCCCCCFClNCCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s9;d10;s2s11;d12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5ClFNO3 |
All Atoms: | 21 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.54173 |
Area: | 379.94 |
Solvation: | -3.95676 |
Coulombic: | -48.3638 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 241.603 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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