Chemical ID: 5146345

c1cc2c(cc(nc2c(c1)Br)c3cccs3)C(=O)O
Chemical ID:
5146345
Name [?]:
8-bromo-2-(2-thienyl)quinoline-4-carboxylic acid
SMILES [?]:
c1cc2c(cc(nc2c(c1)Br)c3cccs3)C(=O)O
InChi [?]:
InChI=1/C14H8BrNO2S/c15-10-4-1-3-8-9(14(17)18)7-11(16-13(8)10)12-5-2-6-19-12/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,2,10,13,15,5,3,4,9,6,12,8,17,11,7,18,19,16/E:(17,18)/rA:19nCCCCCCNCCCBrCCCCSCOO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s6;d12;s13;d14;s12s15;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8BrNO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.5074
Area:451.02
Solvation:-1.76811
Coulombic:-35.1498
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:334.189
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):3.94

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