Molecule

ID:67467

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄O
Molecular Mass
126.11664
Exact Mass
126.05416083
Charge
0
InChI
InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
InChIKey
SWELIMKTDYHAOY-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(O)nc(n1)N
Isomeric Smiles
c1(nc(cc(n1)O)N)N
Calculated Properties
JChem
Acid pKa
12.6039505
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.047525235
LogD (pH = 7.4)
-0.04402819
Log P
-0.04398069
Molar Refractivity
34.677
Polarizability
11.508427
Polar Surface Area
98.05
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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