Chemical ID: 5248811

COc1ccc2c(c1)c(ccn2)C(=O)O
Chemical ID:
5248811
Name [?]:
6-methoxyquinoline-4-carboxylic acid
SMILES [?]:
COc1ccc2c(c1)c(ccn2)C(=O)O
InChi [?]:
InChI=1/C11H9NO3/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-6H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,5,10,11,8,3,9,7,6,13,12,14,15,2/E:(13,14)/rA:15nCOCCCCCCCCCNCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.70442
Area:359.79
Solvation:-3.29032
Coulombic:-39.1276
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.194
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.66
LogP (Chemaxon):1.26

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