Molecule

ID:81900

General Information
Structure
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-2-3(9)7-5(6)8-4(2)10/h1H3,(H4,6,7,8,9,10)
InChIKey
OTFOORSARCXWKK-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(O)c(c(n1)O)C
Isomeric Smiles
n1c(c(c(nc1N)O)C)O
Calculated Properties
JChem
Acid pKa
12.507028
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.9947978
LogD (pH = 7.4)
0.99479795
Log P
0.99480134
Molar Refractivity
36.9987
Polarizability
12.768787
Polar Surface Area
92.26
Rotatable Bonds
0
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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