Molecule

ID:19971

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆FNO₂
Molecular Mass
213.2486432
Exact Mass
213.11650698
Charge
0
InChI
InChI=1S/C11H16FNO2/c1-2-5-14-6-7-15-11-4-3-9(12)8-10(11)13/h3-4,8H,2,5-7,13H2,1H3
InChIKey
VDQFENSJECUEHZ-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOc1ccc(cc1N)F
Isomeric Smiles
c1(cc(ccc1OCCOCCC)F)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9591826
LogD (pH = 7.4)
1.9616735
Log P
1.9617053
Molar Refractivity
57.7541
Polarizability
21.730211
Polar Surface Area
44.48
Rotatable Bonds
6
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