Molecule

ID:94037

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₂O₃
Molecular Mass
174.1016664
Exact Mass
174.01285043
Charge
0
InChI
InChI=1S/C7H4F2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
GZPCNALAXFNOBT-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)C(=O)O)O
Isomeric Smiles
O=C(c1c(c(cc(c1)F)F)O)O
Calculated Properties
JChem
Acid pKa
2.1130834
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8888568
LogD (pH = 7.4)
-1.2599508
Log P
2.2626672
Molar Refractivity
35.7279
Polarizability
12.989631
Polar Surface Area
57.53
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
暂无数据
点击上传数据
References
Bioactivity
Navigation