Molecule

ID:99544

General Information
Structure
Molecular Formula
C₁₁H₁₀F₂O₂
Molecular Mass
212.1927064
Exact Mass
212.064886
Charge
0
InChI
InChI=1S/C11H10F2O2/c1-2-15-11(14)6-4-8-3-5-9(12)7-10(8)13/h3-7H,2H2,1H3
InChIKey
CIDYGTPEQJOLBL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(cc1F)F
Isomeric Smiles
Fc1cc(ccc1/C=C/C(=O)OCC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1575255
LogD (pH = 7.4)
3.1575255
Log P
3.1575255
Molar Refractivity
53.0104
Polarizability
19.548126
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