Molecule

ID:34623

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₄O
Molecular Mass
138.12734
Exact Mass
138.05416083
Charge
0
InChI
InChI=1S/C5H6N4O/c6-9-5(10)4-3-7-1-2-8-4/h1-3H,6H2,(H,9,10)
InChIKey
OHFIJHDYYOCZME-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cnccn1
Isomeric Smiles
c1cncc(n1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.982794
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5225929
LogD (pH = 7.4)
-1.5220915
Log P
-1.5220841
Molar Refractivity
34.9347
Polarizability
12.871855
Polar Surface Area
80.9
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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