Molecule

ID:64276

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₂
Molecular Mass
124.09746
Exact Mass
124.02727738
Charge
0
InChI
InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKey
NIPZZXUFJPQHNH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnccn1
Isomeric Smiles
c1(C(=O)O)nccnc1
Calculated Properties
JChem
LogD (pH = 7.4)
-3.94
LogD (pH = 5.5)
-3.49
Log P
-1.49
Rotatable Bonds
1
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-0.51
Polar Surface Area
63.08
Polarizability
10.63
Molar Refractivity
28.63
LOG S
0.66
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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