Chemical ID: 7085710

c1c2c(cc(c1F)Cl)[nH]cc(c2=O)C(=O)O
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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Descriptor Annotations

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