Molecule

ID:131995

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O₃
Molecular Mass
162.18696
Exact Mass
162.10044232
Charge
0
InChI
InChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKey
MNIGYIKCFSPQRJ-UHFFFAOYSA-N
Canonic Smiles
CC(CN(CC(O)C)N=O)O
Isomeric Smiles
CC(CN(CC(C)O)N=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.51
LogD (pH = 5.5)
-0.51
Log P
-0.51
Rotatable Bonds
5
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.13
Polar Surface Area
73.13
Polarizability
16.47
Molar Refractivity
41.47
LOG S
-0.48
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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