Molecule

ID:20836

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClFNO
Molecular Mass
245.7208832
Exact Mass
245.09827007
Charge
0
InChI
InChI=1S/C12H16FNO.ClH/c13-11-4-1-3-10(7-11)9-15-12-5-2-6-14-8-12;/h1,3-4,7,12,14H,2,5-6,8-9H2;1H
InChIKey
KGDQHYUELZKVIO-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COC1CCCNC1.Cl
Isomeric Smiles
N1CC(OCc2cc(F)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0974799
LogD (pH = 7.4)
-0.10868718
Log P
2.0928855
Molar Refractivity
57.7771
Polarizability
22.513783
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