Molecule

ID:55925

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O₂
Molecular Mass
118.1344
Exact Mass
118.07422757
Charge
0
InChI
InChI=1S/C4H10N2O2/c5-6-4(8)2-1-3-7/h7H,1-3,5H2,(H,6,8)
InChIKey
WOXQFPPKZBOSTN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCCO
Isomeric Smiles
C(=O)(NN)CCCO
Calculated Properties
JChem
Acid pKa
12.961386
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.6208909
LogD (pH = 7.4)
-1.6183715
Log P
-1.6183381
Molar Refractivity
30.1066
Polarizability
11.417641
Polar Surface Area
75.35
Rotatable Bonds
3
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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