Molecule

ID:99199

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈FNO₂
Molecular Mass
227.2752232
Exact Mass
227.13215704
Charge
0
InChI
InChI=1S/C12H18FNO2/c1-3-15-12(16-4-2)9-14-11-7-5-10(13)6-8-11/h5-8,12,14H,3-4,9H2,1-2H3
InChIKey
RSSWNXUJKRPPQC-UHFFFAOYSA-N
Canonic Smiles
CCOC(CNc1ccc(cc1)F)OCC
Isomeric Smiles
Fc1ccc(cc1)NCC(OCC)OCC
Calculated Properties
JChem
Acid pKa
19.403439
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5304298
LogD (pH = 7.4)
2.5342202
Log P
2.5342689
Molar Refractivity
62.79
Polarizability
23.577093
Polar Surface Area
30.49
Rotatable Bonds
7
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