Molecule

ID:15096

General Information
Structure
MolImage
Molecular Formula
C₄HCl₂FN₂
Molecular Mass
166.9685432
Exact Mass
165.95008162
Charge
0
InChI
InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H
InChIKey
WHPFEQUEHBULBW-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Cl)F
Isomeric Smiles
c1(nc(c(cn1)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9252096
LogD (pH = 7.4)
1.9252096
Log P
1.9252096
Molar Refractivity
34.3034
Polarizability
12.483629
Polar Surface Area
25.78
Rotatable Bonds
0
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
References
Bioactivity
Navigation