Chemical ID: 6831921

Cc1ccc2c(c1)c(=O)c(c[nH]2)C(=O)[O-]
Chemical ID:
6831921
Name [?]:
6-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c[nH]2)C(=O)[O-]
InChi [?]:
InChI=1/C11H9NO3/c1-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,7,11,2,6,10,5,8,13,12,9,14,15/E:(14,15)/rA:15nCCCCCCCCOCCNCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8NO3-
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-35.6598
Area:356.561
Solvation:-44.5738
Coulombic:-18.9735
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:1.28
LogP (Chemaxon):1.98

Name Annotations

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Descriptor Annotations

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