Molecule

ID:97179

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClF₂NO
Molecular Mass
193.5784464
Exact Mass
193.01059794
Charge
0
InChI
InChI=1S/C7H6ClF2NO/c8-4-1-2-6(5(11)3-4)12-7(9)10/h1-3,7H,11H2
InChIKey
PXJADXBJPQYBFZ-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1N)Cl)F
Isomeric Smiles
O(c1c(cc(cc1)Cl)N)C(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5164814
LogD (pH = 7.4)
2.5174394
Log P
2.5174515
Molar Refractivity
42.0353
Polarizability
15.523793
Polar Surface Area
35.25
Rotatable Bonds
2
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