Molecule

ID:37298

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FO₃
Molecular Mass
246.2337432
Exact Mass
246.06922243
Charge
0
InChI
InChI=1S/C14H11FO3/c15-13-7-2-1-4-11(13)9-18-12-6-3-5-10(8-12)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
WLWPTPPJPNCDSH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1COc1cccc(c1)C(=O)O
Isomeric Smiles
c1(cc(ccc1)C(=O)O)OCc1c(cccc1)F
Calculated Properties
JChem
Acid pKa
3.8372798
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6741344
LogD (pH = 7.4)
0.09546797
Log P
3.3403325
Molar Refractivity
64.6064
Polarizability
24.444536
Polar Surface Area
46.53
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