Molecule

ID:121810

General Information
Structure
MolImage
Molecular Formula
C₄H₂N₄O₃
Molecular Mass
154.08368
Exact Mass
154.01268994
Charge
0
InChI
InChI=1S/C4H2N4O3/c9-3-4(10)6-2-1(5-3)7-11-8-2/h(H,5,7,9)(H,6,8,10)
InChIKey
AFJDXTDPQNIWOX-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2nonc2nc1O
Isomeric Smiles
c12c(nc(c(n1)O)O)non2
Calculated Properties
JChem
Acid pKa
9.952058
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.1197021
LogD (pH = 7.4)
0.11852146
Log P
0.11971717
Molar Refractivity
35.5554
Polarizability
11.476064
Polar Surface Area
105.16
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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