Chemical ID: 5186801

Cc1cccc2c1n(cc(c2=O)C(=O)O)C
Chemical ID:
5186801
Name [?]:
1,8-dimethyl-4-oxo-quinoline-3-carboxylic acid
SMILES [?]:
Cc1cccc2c1n(cc(c2=O)C(=O)O)C
InChi [?]:
InChI=1/C12H11NO3/c1-7-4-3-5-8-10(7)13(2)6-9(11(8)14)12(15)16/h3-6H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,4,3,5,9,2,6,10,7,11,13,8,12,14,15/E:(15,16)/rA:16nCCCCCCCNCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s10;d11;s10;d13;s13;s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.49623
Area:372.804
Solvation:-2.82386
Coulombic:-41.3501
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:217.221
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.85
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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