Chemical ID: 4676591

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue