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Chemical ID: 4676591
Chemical ID:
4676591
Name [?]:
4-hydroxyquinoline-3-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c(c(cn2)C(=O)O)O
InChi [?]:
InChI=1/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,5,8,4,7,11,10,14,12,13/E:(13,14)/rA:14nCCCCCCCCCNCOOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s8;d11;s11;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.66397 |
Area: | 337.946 |
Solvation: | -2.78468 |
Coulombic: | -48.3324 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.168 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.53 |
LogP (Chemaxon): | 0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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