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Chemical ID: 5628800
Chemical ID:
5628800
Name [?]:
3-hydroxyquinoline-4-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c(c(cn2)O)C(=O)O
InChi [?]:
InChI=1/C10H7NO3/c12-8-5-11-7-4-2-1-3-6(7)9(8)10(13)14/h1-5,12H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,5,4,8,7,12,10,11,13,14/E:(13,14)/rA:14nCCCCCCCCCNOCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s8;s7;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.89216 |
Area: | 338.9 |
Solvation: | -2.58034 |
Coulombic: | -48.894 |
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): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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