Molecule

ID:9801

General Information
Structure
Loading...
Molecular Formula
C₃H₅FO
Molecular Mass
76.0696032
Exact Mass
76.032443
Charge
0
InChI
InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3
InChIKey
MSWVMWGCNZQPIA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CF
Isomeric Smiles
C(=O)(CF)C
Calculated Properties
JChem
Acid pKa
16.688135
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.18012354
LogD (pH = 7.4)
0.18012354
Log P
0.18012354
Molar Refractivity
16.2049
Polarizability
6.1600957
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
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...