Chemical ID: 6708478

Cc1ccc2c(c1)c(=O)c(cn2C)C(=O)[O-]
Chemical ID:
6708478
Name [?]:
1,6-dimethyl-4-oxo-quinoline-3-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(cn2C)C(=O)[O-]
InChi [?]:
InChI=1/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(12(15)16)6-13(10)2/h3-6H,1-2H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,3,4,7,11,2,6,10,5,8,14,12,9,15,16/E:(15,16)/rA:16nCCCCCCCCOCCNCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s12;s10;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10NO3-
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-35.6639
Area:375.326
Solvation:-45.0471
Coulombic:-13.5539
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:216.213
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.58
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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