Chemical ID: 7122750

Cc1ccc2c(c1)c(cc(n2)c3ccc(s3)C)C(=O)[O-]
Chemical ID:
7122750
Name [?]:
6-methyl-2-(5-methyl-2-thienyl)-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3ccc(s3)C)C(=O)[O-]
InChi [?]:
InChI=1/C16H13NO2S/c1-9-3-5-13-11(7-9)12(16(18)19)8-14(17-13)15-6-4-10(2)20-15/h3-8H,1-2H3,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,3,14,4,13,7,9,2,15,6,8,5,10,12,18,11,19,20,16/E:(18,19)/rA:20nCCCCCCCCCCNCCCCSCCOO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;d12;s13;d14;s12s15;s15;s8;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12NO2S-
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-29.7025
Area:465.692
Solvation:-41.3448
Coulombic:-9.26123
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.338
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.6
LogP (Chemaxon):3.61

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