Chemical ID: 6700991

Cc1cccc2c1[nH]cc(c2=O)C(=O)[O-]
Chemical ID:
6700991
Name [?]:
8-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILES [?]:
Cc1cccc2c1[nH]cc(c2=O)C(=O)[O-]
InChi [?]:
InChI=1/C11H9NO3/c1-6-3-2-4-7-9(6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,3,5,9,2,6,10,7,11,13,8,12,14,15/E:(14,15)/rA:15nCCCCCCCNCCCOCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s10;d11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8NO3-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-35.764
Area:354.254
Solvation:-44.6203
Coulombic:-19.0904
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:202.186
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.07
LogP (Chemaxon):1.98

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Descriptor Annotations

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