Molecule

ID:103569

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₃
Molecular Mass
149.1882
Exact Mass
149.10519335
Charge
0
InChI
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
InChIKey
GSEJCLTVZPLZKY-UHFFFAOYSA-N
Canonic Smiles
OCCN(CCO)CCO
Isomeric Smiles
OCCN(CCO)CCO
Calculated Properties
JChem
LogD (pH = 7.4)
-2.96
LogD (pH = 5.5)
-4.71
Log P
-1.88
Rotatable Bonds
6
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.44
Polar Surface Area
63.93
Polarizability
16.38
Molar Refractivity
38.87
LOG S
1.21
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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