Molecule

ID:82003

General Information
Structure
Molecular Formula
C₅H₈N₂O₂
Molecular Mass
128.12922
Exact Mass
128.05857751
Charge
0
InChI
InChI=1S/C5H8N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H2,1H3,(H,6,8,9)
InChIKey
LPQUIFIUJKZJRT-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(=O)NC1=O
Isomeric Smiles
N1C(=O)N(C)CCC1=O
Calculated Properties
JChem
Acid pKa
11.699518
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.98953193
LogD (pH = 7.4)
-0.9895532
Log P
-0.98953164
Molar Refractivity
30.6422
Polarizability
11.731229
Polar Surface Area
49.41
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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