Chemical ID: 5524703

Cc1cc(cc2c1nc(cc2C(=O)O)c3cccc(c3)OC)Br
Chemical ID:
5524703
Name [?]:
6-bromo-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cc(cc2c1nc(cc2C(=O)O)c3cccc(c3)OC)Br
InChi [?]:
InChI=1/C18H14BrNO3/c1-10-6-12(19)8-14-15(18(21)22)9-16(20-17(10)14)11-4-3-5-13(7-11)23-2/h3-9H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,17,16,18,3,20,5,10,2,15,4,19,6,11,9,7,12,23,8,13,14,21/E:(21,22)/rA:23nCCCCCCCNCCCCOOCCCCCCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s19;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14BrNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.50241
Area:511.74
Solvation:-3.29109
Coulombic:-41.1208
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:372.213
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.71
LogP (Chemaxon):4.74

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Descriptor Annotations

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