Chemical ID: 7085843

Cc1cccc2c1nc(c(c2C(=O)O)C)c3ccccc3
Chemical ID:
7085843
Name [?]:
3,8-dimethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cccc2c1nc(c(c2C(=O)O)C)c3ccccc3
InChi [?]:
InChI=1/C18H15NO2/c1-11-7-6-10-14-15(18(20)21)12(2)17(19-16(11)14)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,19,18,20,4,3,17,21,5,2,10,16,6,11,7,9,12,8,13,14/E:(4,5)(8,9)(20,21)/rA:21nCCCCCCCNCCCCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s10;s9;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.43828
Area:457.889
Solvation:-2.00894
Coulombic:-35.2961
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.317
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.22
LogP (Chemaxon):4.54

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