Molecule

ID:20820

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClFNO
Molecular Mass
243.7050032
Exact Mass
243.08262001
Charge
0
InChI
InChI=1S/C12H15ClFNO/c13-10-1-2-12(11(14)7-10)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKey
HFACAWDSCTXADI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)OCC1CCNCC1
Isomeric Smiles
c1(cc(ccc1OCC1CCNCC1)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5647408
LogD (pH = 7.4)
-0.103969984
Log P
2.66668
Molar Refractivity
62.5168
Polarizability
24.401297
Polar Surface Area
21.26
Rotatable Bonds
3
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