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Chemical ID: 6325923
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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