Molecule

ID:19406

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClF₂N
Molecular Mass
241.6643064
Exact Mass
241.04698345
Charge
0
InChI
InChI=1S/C12H9F2N.ClH/c13-10-4-2-1-3-9(10)8-5-6-12(15)11(14)7-8;/h1-7H,15H2;1H
InChIKey
FWLLBCNTSUXCCY-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N)c1ccccc1F.Cl
Isomeric Smiles
c1(c2c(F)cccc2)ccc(c(c1)F)N.Cl
Calculated Properties
JChem
Acid pKa
18.574957
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.076848
LogD (pH = 7.4)
3.076948
Log P
3.0769491
Molar Refractivity
56.3274
Polarizability
21.710789
Polar Surface Area
26.02
Rotatable Bonds
1
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