Molecule

ID:4252

General Information
Structure
Loading...
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChIKey
YEJRWHAVMIAJKC-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCO1
Isomeric Smiles
O=C1CCCO1
Calculated Properties
JChem
LogD (pH = 7.4)
0.15
LogD (pH = 5.5)
0.15
Log P
0.15
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
8.23
Molar Refractivity
20.31
LOG S
0.02
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
Loading...
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...