Molecule

ID:78148

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃O₂
Molecular Mass
127.1014
Exact Mass
127.03817642
Charge
0
InChI
InChI=1S/C4H5N3O2/c5-7-4(8)3-1-9-2-6-3/h1-2H,5H2,(H,7,8)
InChIKey
BJKXXQQGEZGQSQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cocn1
Isomeric Smiles
O=C(c1cocn1)NN
Calculated Properties
JChem
Acid pKa
11.82155
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1452985
LogD (pH = 7.4)
-1.1448681
Log P
-1.1448479
Molar Refractivity
29.9579
Polarizability
10.742935
Polar Surface Area
81.15
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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