Molecule

ID:100072

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅FO₂
Molecular Mass
280.3776032
Exact Mass
280.18385826
Charge
0
InChI
InChI=1S/C17H25FO2/c1-3-4-5-6-7-8-9-12-20-15-10-11-16(14(2)19)17(18)13-15/h10-11,13H,3-9,12H2,1-2H3
InChIKey
CUJWMNOBXKQCCF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCOc1ccc(c(c1)F)C(=O)C
Isomeric Smiles
O=C(c1c(cc(cc1)OCCCCCCCCC)F)C
Calculated Properties
JChem
Acid pKa
15.473241
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0626664
LogD (pH = 7.4)
5.0626664
Log P
5.0626664
Molar Refractivity
80.019
Polarizability
30.962635
Polar Surface Area
26.3
Rotatable Bonds
10
Lipinski's Rule of Five
false
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