Molecule

ID:95999

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₄FNOS
Molecular Mass
397.0789432
Exact Mass
394.89082376
Charge
0
InChI
InChI=1S/C14H6Cl4FNOS/c15-10-12(11(16)14(18)20-13(10)17)22-6-5-9(21)7-1-3-8(19)4-2-7/h1-6H
InChIKey
KNMJBZZTSLGPNW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/Sc1c(Cl)c(Cl)nc(c1Cl)Cl
Isomeric Smiles
n1c(c(c(c(c1Cl)Cl)S/C=C/C(=O)c1ccc(cc1)F)Cl)Cl
Calculated Properties
JChem
Acid pKa
14.953236
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.6800385
LogD (pH = 7.4)
5.6800385
Log P
5.6800385
Molar Refractivity
93.2841
Polarizability
34.99708
Polar Surface Area
29.96
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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