Chemical ID: 4949435

c1ccc2c(c1)c(=O)n(c(=O)[nH]2)O
Chemical ID:
4949435
Name [?]:
3-hydroxy-1H-quinazoline-2,4-dione
SMILES [?]:
c1ccc2c(c1)c(=O)n(c(=O)[nH]2)O
InChi [?]:
InChI=1/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,12,9,8,11,13/rA:13nCCCCCCCONCONO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s4s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.32047
Area:317.963
Solvation:-2.62861
Coulombic:-48.8737
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.145
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.58
LogP (Chemaxon):0.4

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