Molecule

ID:21099

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClF₂NO
Molecular Mass
235.6581864
Exact Mass
235.05754813
Charge
0
InChI
InChI=1S/C10H11F2NO.ClH/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKey
AHTXNJLFHZWIQT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)OC1CNCC1.Cl
Isomeric Smiles
c1cc(OC2CCNC2)cc(c1F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5451956
LogD (pH = 7.4)
-1.0477971
Log P
1.6847769
Molar Refractivity
48.245
Polarizability
18.568848
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