Chemical ID: 5827756

CC(C)c1cc(c2cc(ccc2n1)Br)C(=O)O
Chemical ID:
5827756
Name [?]:
6-bromo-2-isopropyl-quinoline-4-carboxylic acid
SMILES [?]:
CC(C)c1cc(c2cc(ccc2n1)Br)C(=O)O
InChi [?]:
InChI=1/C13H12BrNO2/c1-7(2)12-6-10(13(16)17)9-5-8(14)3-4-11(9)15-12/h3-7H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,8,5,2,9,7,6,12,4,15,14,13,16,17/E:(1,2)(16,17)/rA:17nCCCCCCCCCCCCNBrCOO/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s9;s6;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12BrNO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.75875
Area:416.417
Solvation:-1.65168
Coulombic:-33.6454
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.144
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.4
LogP (Chemaxon):3.59

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Descriptor Annotations

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