Chemical ID: 6330068

CCc1ccc(cc1)c2cc(c3cc(ccc3n2)C)C(=O)O
Chemical ID:
6330068
Name [?]:
2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylic acid
SMILES [?]:
CCc1ccc(cc1)c2cc(c3cc(ccc3n2)C)C(=O)O
InChi [?]:
InChI=1/C19H17NO2/c1-3-13-5-7-14(8-6-13)18-11-16(19(21)22)15-10-12(2)4-9-17(15)20-18/h4-11H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,2,15,4,8,5,7,16,13,10,14,3,6,12,11,17,9,20,18,21,22/E:(5,6)(7,8)(21,22)/rA:22nCCCCCCCCCCCCCCCCCNCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s14;s11;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5227
Area:497.165
Solvation:-1.90643
Coulombic:-35.3988
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.344
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.11
LogP (Chemaxon):5.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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