Molecule

ID:27279

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,6H2,1H3,(H,7,9)
InChIKey
MKVLYUIHTXXSHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(no1)C(=O)NN
Isomeric Smiles
c1(noc(c1)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
11.938276
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.5230818
LogD (pH = 7.4)
-0.52264935
Log P
-0.52263254
Molar Refractivity
35.8402
Polarizability
12.482609
Polar Surface Area
81.15
Rotatable Bonds
1
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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