Molecule

ID:37227

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₄
Molecular Mass
276.2597232
Exact Mass
276.07978712
Charge
0
InChI
InChI=1S/C15H13FO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)
InChIKey
YOJAJGCDFZQVTK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccc(cc1)F)C(=O)O
Isomeric Smiles
c1cc(cc(c1OCc1ccc(cc1)F)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1328135
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8001958
LogD (pH = 7.4)
0.104635306
Log P
3.1826613
Molar Refractivity
71.0696
Polarizability
26.99165
Polar Surface Area
55.76
Rotatable Bonds
5
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