Chemical ID: 5147861

CCc1ccc2c(c1)c(cc(n2)c3ccccc3C)C(=O)O
Chemical ID:
5147861
Name [?]:
6-ethyl-2-(o-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
CCc1ccc2c(c1)c(cc(n2)c3ccccc3C)C(=O)O
InChi [?]:
InChI=1/C19H17NO2/c1-3-13-8-9-17-15(10-13)16(19(21)22)11-18(20-17)14-7-5-4-6-12(14)2/h4-11H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,2,16,15,17,14,4,5,8,10,18,3,13,7,9,6,11,20,12,21,22/E:(21,22)/rA:22nCCCCCCCCCCCNCCCCCCCCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2275
Area:485.918
Solvation:-1.92043
Coulombic:-35.4751
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue