Chemical ID: 5147846

CCc1ccc2c(c1)c(cc(n2)c3ccccc3)C(=O)O
Chemical ID:
5147846
Name [?]:
6-ethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
CCc1ccc2c(c1)c(cc(n2)c3ccccc3)C(=O)O
InChi [?]:
InChI=1/C18H15NO2/c1-2-12-8-9-16-14(10-12)15(18(20)21)11-17(19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,18,4,5,8,10,3,13,7,9,6,11,19,12,20,21/E:(4,5)(6,7)(20,21)/rA:21nCCCCCCCCCCCNCCCCCCCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s9;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.95405
Area:474.659
Solvation:-1.91244
Coulombic:-35.6511
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.317
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.67
LogP (Chemaxon):4.6

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Descriptor Annotations

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