Molecule

ID:60490

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O₂
Molecular Mass
128.12922
Exact Mass
128.05857751
Charge
0
InChI
InChI=1S/C5H8N2O2/c1-2-3-4-6-7-5(8)9-4/h2-3H2,1H3,(H,7,8)
InChIKey
VNOBKMZJKWBFLD-UHFFFAOYSA-N
Canonic Smiles
CCCc1nnc(o1)O
Isomeric Smiles
o1c(nnc1CCC)O
Calculated Properties
JChem
Acid pKa
3.9093065
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.76437855
LogD (pH = 7.4)
-1.1261826
Log P
0.60353947
Molar Refractivity
32.1064
Polarizability
11.608113
Polar Surface Area
59.15
Rotatable Bonds
2
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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