Molecule

ID:108298

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₄
Molecular Mass
165.1876
Exact Mass
165.10010797
Charge
0
InChI
InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChIKey
DQKGOGJIOHUEGK-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)O.OCC[N+](C)(C)C
Isomeric Smiles
OC(=O)[O-].C[N+](C)(C)CCO
Calculated Properties
JChem
Acid pKa
13.968714
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-4.662269
LogD (pH = 7.4)
-4.6622667
Log P
-4.662269
Molar Refractivity
42.194
Polarizability
12.021414
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation