Molecule

ID:103012

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO₂
Molecular Mass
105.13564
Exact Mass
105.0789786
Charge
0
InChI
InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
InChIKey
UXFQFBNBSPQBJW-UHFFFAOYSA-N
Canonic Smiles
OCC(CO)(N)C
Isomeric Smiles
CC(N)(CO)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-3.70
LogD (pH = 5.5)
-4.65
Log P
-1.67
Rotatable Bonds
2
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.48
Polar Surface Area
66.48
Polarizability
11.14
Molar Refractivity
26.81
LOG S
0.82
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...