Chemical ID: 7335266

c1cc(ccc1c2ccc(s2)c3cc(c4cc(ccc4n3)Br)C(=O)O)F
Chemical ID:
7335266
Name [?]:
6-bromo-2-[5-(4-fluorophenyl)-2-thienyl]-quinoline-4-carboxylic acid
SMILES [?]:
c1cc(ccc1c2ccc(s2)c3cc(c4cc(ccc4n3)Br)C(=O)O)F
InChi [?]:
InChI=1/C20H11BrFNO2S/c21-12-3-6-16-14(9-12)15(20(24)25)10-17(23-16)19-8-7-18(26-19)11-1-4-13(22)5-2-11/h1-10H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,5,18,2,4,19,8,9,16,13,6,17,3,15,14,20,12,7,10,23,22,26,21,24,25,11/E:(1,2)(4,5)(24,25)/rA:26nCCCCCCCCCCSCCCCCCCCCNBrCOOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s17;s14;d23;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11BrFNO2S
All Atoms:37
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3632
Area:570.651
Solvation:-2.90306
Coulombic:-39.4438
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:428.275
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.28
LogP (Chemaxon):5.51

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