Molecule

ID:85759

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₂
Molecular Mass
74.07854
Exact Mass
74.03677943
Charge
0
InChI
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
InChIKey
WBJINCZRORDGAQ-UHFFFAOYSA-N
Canonic Smiles
CCOC=O
Isomeric Smiles
O=COCC
Calculated Properties
JChem
LogD (pH = 7.4)
0.23
LogD (pH = 5.5)
0.23
Log P
0.23
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-6.82
Polar Surface Area
26.30
Polarizability
7.32
Molar Refractivity
17.67
LOG S
0.33
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