Chemical ID: 6708976

Cc1cc(c2c(c1)c(=O)c(cn2C)C(=O)[O-])C
Chemical ID:
6708976
Name [?]:
1,6,8-trimethyl-4-oxo-quinoline-3-carboxylate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(cn2C)C(=O)[O-])C
InChi [?]:
InChI=1/C13H13NO3/c1-7-4-8(2)11-9(5-7)12(15)10(13(16)17)6-14(11)3/h4-6H,1-3H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,13,3,7,11,2,4,6,10,5,8,14,12,9,15,16/E:(16,17)/rA:17nCCCCCCCCOCCNCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s12;s10;d14;s14;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12NO3-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-35.2265
Area:392.402
Solvation:-45.0365
Coulombic:-13.537
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:230.239
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.81
LogP (Chemaxon):2.69

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