Chemical ID: 4119746

CC(C)Cc1cc(c2ccccc2n1)C(=O)O
Chemical ID:
4119746
Name [?]:
2-isobutylquinoline-4-carboxylic acid
SMILES [?]:
CC(C)Cc1cc(c2ccccc2n1)C(=O)O
InChi [?]:
InChI=1/C14H15NO2/c1-9(2)7-10-8-12(14(16)17)11-5-3-4-6-13(11)15-10/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,9,12,4,6,2,5,8,7,13,15,14,16,17/E:(1,2)(16,17)/rA:17nCCCCCCCCCCCCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;s7;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.48025
Area:404.545
Solvation:-1.63339
Coulombic:-34.2363
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.274
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.38
LogP (Chemaxon):2.91

Name Annotations

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Descriptor Annotations

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