Molecule
ID:66017
General Information
Molecular Formula
C₆H₃F₄N
Molecular Mass
165.0883328
Exact Mass
165.02016198
Charge
0
InChI
InChI=1S/C6H3F4N/c7-4-3(5(8)9)1-2-11-6(4)10/h1-2,5H
InChIKey
BEKMBPQQOARBLZ-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccnc(c1F)F)F
Isomeric Smiles
c1(c(c(ccn1)C(F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.823996
LogD (pH = 7.4)
1.823996
Log P
1.823996
Molar Refractivity
30.4326
Polarizability
10.646268
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...