Molecule

ID:3555

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂
Molecular Mass
103.11976
Exact Mass
103.06332853
Charge
0
InChI
InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
InChIKey
AEARPZNULDFPNQ-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)OC
Isomeric Smiles
CCNC(=O)OC
Calculated Properties
JChem
Acid pKa
15.11843
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.16948684
LogD (pH = 7.4)
0.16948682
Log P
0.16948684
Molar Refractivity
25.7348
Polarizability
10.050503
Polar Surface Area
38.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.1
LOG S
0.43
Solubility (Water)
2.79e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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