Molecule

ID:98085

General Information
Structure
MolImage
Molecular Formula
C₄F₄O
Molecular Mass
140.0358128
Exact Mass
139.9885275
Charge
0
InChI
InChI=1S/C4F4O/c5-1-2(6)4(7,8)3(1)9
InChIKey
ASPSKAWHQBLRHH-UHFFFAOYSA-N
Canonic Smiles
FC1=C(F)C(C1=O)(F)F
Isomeric Smiles
O=C1C(C(=C1F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0679188
LogD (pH = 7.4)
1.0679188
Log P
1.0679188
Molar Refractivity
20.5882
Polarizability
7.1150084
Polar Surface Area
17.07
Rotatable Bonds
0
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