Molecule

ID:17548

General Information
Structure
Molecular Formula
C₁₀H₇FO₃
Molecular Mass
194.1591832
Exact Mass
194.0379223
Charge
0
InChI
InChI=1S/C10H7FO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKey
GMIDGDXRCTUPNM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(C)c(o2)C(=O)O
Isomeric Smiles
c12c(oc(c1C)C(=O)O)ccc(c2)F
Calculated Properties
JChem
Acid pKa
2.9399822
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1508753
LogD (pH = 7.4)
-1.1152203
Log P
2.3660765
Molar Refractivity
47.2904
Polarizability
18.511517
Polar Surface Area
50.44
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