Molecule
ID:88532
General Information
Molecular Formula
C₄H₈N₂O₂
Molecular Mass
116.11852
Exact Mass
116.05857751
Charge
0
InChI
InChI=1S/C4H8N2O2/c5-4(3(7)8)1-6-2-4/h6H,1-2,5H2,(H,7,8)
InChIKey
DFSBPJSOVRGSTO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(N)CNC1
Isomeric Smiles
N1CC(C1)(N)C(=O)O
Calculated Properties
JChem
Acid pKa
1.1202773
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.897831
LogD (pH = 7.4)
-3.8441582
Log P
-3.8426917
Molar Refractivity
26.4688
Polarizability
11.000733
Polar Surface Area
75.35
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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