Chemical ID: 6724599

c1ccc2c(c1)c(c(cn2)O)C(=O)[O-]
Chemical ID:
6724599
Name [?]:
3-hydroxyquinoline-4-carboxylate
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)/p-1
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:C10H6NO3-
All Atoms:20
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-34.8169
Area:330.78
Solvation:-43.0863
Coulombic:-22.0596
Bond Count [?]
All:15
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:188.16
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.5
LogP (Chemaxon):1.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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