Chemical ID: 5628800

c1ccc2c(c1)c(c(cn2)O)C(=O)O
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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