Molecule

ID:96054

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₂FN₂O₄S
Molecular Mass
391.2016632
Exact Mass
389.96441136
Charge
0
InChI
InChI=1S/C14H9Cl2FN2O4S/c15-9-3-1-8(2-4-9)13(20)19-14(21)18-12-6-5-10(7-11(12)16)24(17,22)23/h1-7H,(H2,18,19,20,21)
InChIKey
ALUYSOFZJYWWMI-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1Cl)S(=O)(=O)F)NC(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(c(c1)Cl)NC(=O)NC(=O)c1ccc(cc1)Cl)F
Calculated Properties
JChem
Acid pKa
7.499867
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.5824971
LogD (pH = 7.4)
3.3367305
Log P
3.5869966
Molar Refractivity
89.0029
Polarizability
33.712555
Polar Surface Area
92.34
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