Molecule

ID:136114

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
InChIKey
ZFIVKAOQEXOYFY-UHFFFAOYSA-N
Canonic Smiles
O1CC1C1OC1
Isomeric Smiles
C1C(O1)C1CO1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.14594182
LogD (pH = 7.4)
-0.14594182
Log P
-0.14594182
Molar Refractivity
19.4584
Polarizability
8.080834
Polar Surface Area
25.06
Rotatable Bonds
1
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