Chemical ID: 3992494

c1ccc2c(c1)c(cc(n2)O)O
Chemical ID:
3992494
Name [?]:
quinoline-2,4-diol
SMILES [?]:
c1ccc2c(c1)c(cc(n2)O)O
InChi [?]:
InChI=1/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,7,9,10,12,11/rA:12nCCCCCCCCCNOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.13448
Area:308.307
Solvation:-2.57318
Coulombic:-38.4126
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.157
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):2.27

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