Molecule

ID:96147

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₂F₃N₂O₂
Molecular Mass
377.1453696
Exact Mass
375.99931756
Charge
0
InChI
InChI=1S/C15H9Cl2F3N2O2/c16-9-3-1-2-8(4-9)12(23)7-22-14(24)10-6-21-13(17)5-11(10)15(18,19)20/h1-6H,7H2,(H,22,24)
InChIKey
VWKMFCPDOUSXBZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(F)(F)F)C(=O)NCC(=O)c1cccc(c1)Cl
Isomeric Smiles
n1cc(c(cc1Cl)C(F)(F)F)C(=O)NCC(=O)c1cc(ccc1)Cl
Calculated Properties
JChem
Acid pKa
12.942759
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3682268
LogD (pH = 7.4)
3.368226
Log P
3.368227
Molar Refractivity
84.4225
Polarizability
30.784958
Polar Surface Area
59.06
Rotatable Bonds
5
Lipinski's Rule of Five
true
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