Chemical ID: 5767949

Cc1ccc(s1)c2cc(c3cc(ccc3n2)Br)C(=O)[O-]
Chemical ID:
5767949
Name [?]:
6-bromo-2-(5-methyl-2-thienyl)-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc(s1)c2cc(c3cc(ccc3n2)Br)C(=O)[O-]
InChi [?]:
InChI=1/C15H10BrNO2S/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)/p-1
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:20nCCCCCSCCCCCCCCCNBrCOO-/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:C15H9BrNO2S-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-28.7663
Area:478.757
Solvation:-40.7353
Coulombic:-9.88701
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:347.207
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.96
LogP (Chemaxon):3.94

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Descriptor Annotations

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