Molecule

ID:20918

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClFNO
Molecular Mass
229.6784232
Exact Mass
229.06696994
Charge
0
InChI
InChI=1S/C11H13ClFNO/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKey
JFYHSUDQOJUQDD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)OC1CCCNC1
Isomeric Smiles
c1(c(cc(cc1)Cl)F)OC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49198997
LogD (pH = 7.4)
0.6849917
Log P
2.6634822
Molar Refractivity
57.478
Polarizability
22.570557
Polar Surface Area
21.26
Rotatable Bonds
2
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