Molecule

ID:44231

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₂
Molecular Mass
244.2609232
Exact Mass
244.08995788
Charge
0
InChI
InChI=1S/C15H13FO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
InChIKey
MQJDMMIBGFVIDR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)COc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(c1ccc(OCc2ccc(F)cc2)cc1)C
Calculated Properties
JChem
Acid pKa
16.271011
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2403972
LogD (pH = 7.4)
3.2403972
Log P
3.2403972
Molar Refractivity
67.753
Polarizability
25.819958
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