Molecule

ID:74018

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O₂
Molecular Mass
146.18756
Exact Mass
146.1055277
Charge
0
InChI
InChI=1S/C6H14N2O2/c1-6(2)5-7(9)3-4-8(6)10/h9-10H,3-5H2,1-2H3
InChIKey
LZYNOFPEHTXCTK-UHFFFAOYSA-N
Canonic Smiles
ON1CCN(C(C1)(C)C)O
Isomeric Smiles
N1(CCN(CC1(C)C)O)O
Calculated Properties
JChem
Acid pKa
14.941997
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.7955925
LogD (pH = 7.4)
-0.7953537
Log P
-0.7953507
Molar Refractivity
38.035
Polarizability
15.365045
Polar Surface Area
46.94
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
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References
Bioactivity
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