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Chemical ID: 5248811
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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