Molecule

ID:70936

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,6H2,1H3,(H,9,10)
InChIKey
NVRCXLPKLCKSSN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnn(c1N)C
Isomeric Smiles
n1(ncc(c1N)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.156298
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4305586
LogD (pH = 7.4)
-3.1194265
Log P
-0.16656569
Molar Refractivity
46.1713
Polarizability
12.503277
Polar Surface Area
81.14
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
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Molecule Details
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References
Bioactivity
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