Molecule

ID:9796

General Information
Structure
MolImage
Molecular Formula
C₆H₉FO₂
Molecular Mass
132.1328632
Exact Mass
132.05865775
Charge
0
InChI
InChI=1S/C6H9FO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
InChIKey
WPSKNCNCLSXMTN-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C(=O)OCCF
Isomeric Smiles
O=C(C(=C)C)OCCF
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5087149
LogD (pH = 7.4)
1.5087149
Log P
1.5087149
Molar Refractivity
31.0178
Polarizability
12.087846
Polar Surface Area
26.3
Rotatable Bonds
4
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
暂无数据
点击上传数据
References
Bioactivity
Navigation