Molecule

ID:25219

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈FNO₃
Molecular Mass
267.2960232
Exact Mass
267.12707166
Charge
0
InChI
InChI=1S/C14H18FNO3/c1-14(13(18)19-2)7-9(8-17)12(16-14)10-5-3-4-6-11(10)15/h3-6,9,12,16-17H,7-8H2,1-2H3
InChIKey
ROIPMFHLOHQETF-UHFFFAOYSA-N
Canonic Smiles
OCC1CC(NC1c1ccccc1F)(C)C(=O)OC
Isomeric Smiles
N1C(C(=O)OC)(CC(C1c1c(F)cccc1)CO)C
Calculated Properties
JChem
Acid pKa
15.407054
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7513166
LogD (pH = 7.4)
1.3609366
Log P
1.3783116
Molar Refractivity
68.3474
Polarizability
26.93804
Polar Surface Area
58.56
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