Molecule

ID:54863

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO₂
Molecular Mass
223.2434632
Exact Mass
223.10085691
Charge
0
InChI
InChI=1S/C12H14FNO2/c1-3-15-12(16-4-2)9-5-6-11(13)10(7-9)8-14/h5-7,12H,3-4H2,1-2H3
InChIKey
PWINDASCTDSVAK-UHFFFAOYSA-N
Canonic Smiles
CCOC(c1ccc(c(c1)C#N)F)OCC
Isomeric Smiles
c1(C#N)cc(C(OCC)OCC)ccc1F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8403392
LogD (pH = 7.4)
2.8403392
Log P
2.8403392
Molar Refractivity
58.8414
Polarizability
22.429277
Polar Surface Area
42.25
Rotatable Bonds
5
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