Chemical ID: 7238548

c1ccc2c(c1)c(cc[nH+]2)C(=O)O
Chemical ID:
7238548
Name [?]:
1H-quinoline-4-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c(cc[nH+]2)C(=O)O
InChi [?]:
InChI=1/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,9,5,7,4,11,10,12,13/E:(12,13)/rA:13nCCCCCCCCCN+COO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8NO2+
All Atoms:21
Heavy Atoms:13
Chiral Atoms:None
ZAP Information [?]
Total:-26.0795
Area:321.918
Solvation:-34.1274
Coulombic:-18.1252
Bond Count [?]
All:14
Single:8
Double:6
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.74
LogP (Chemaxon):None

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