Molecule

ID:13535

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClFNO
Molecular Mass
233.7101832
Exact Mass
233.09827007
Charge
0
InChI
InChI=1S/C11H16FNO.ClH/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKey
JSYIAEXWPJHPKR-UHFFFAOYSA-N
Canonic Smiles
COCC(NCc1ccc(cc1)F)C.Cl
Isomeric Smiles
c1c(ccc(c1)F)CNC(COC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0043128
LogD (pH = 7.4)
0.45098636
Log P
2.0438962
Molar Refractivity
54.9847
Polarizability
21.401129
Polar Surface Area
21.26
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