Chemical ID: 6325923

Cc1ccc(o1)c2cc(c3cc(ccc3n2)Br)C(=O)O
Chemical ID:
6325923
Name [?]:
6-bromo-2-(5-methyl-2-furyl)-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc(o1)c2cc(c3cc(ccc3n2)Br)C(=O)O
InChi [?]:
InChI=1/C15H10BrNO3/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,4,11,8,2,12,10,9,15,7,5,18,17,16,19,20,6/E:(18,19)/rA:20nCCCCCOCCCCCCCCCNBrCOO/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.28613
Area:465.428
Solvation:-2.34957
Coulombic:-40.8484
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:332.149
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):3.49

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