Molecule

ID:42182

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClF₂NO
Molecular Mass
269.6744064
Exact Mass
269.04189807
Charge
0
InChI
InChI=1S/C13H10ClF2NO/c14-10-5-11(16)12(17)6-13(10)18-7-8-1-3-9(15)4-2-8/h1-6H,7,17H2
InChIKey
CSGZATUSAFETSN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)COc1cc(N)c(cc1Cl)F
Isomeric Smiles
c1c(c(cc(c1N)F)Cl)OCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
18.053875
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6005366
LogD (pH = 7.4)
3.6005697
Log P
3.6005702
Molar Refractivity
67.0718
Polarizability
24.875051
Polar Surface Area
35.25
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