Molecule

ID:6998

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₆N
Molecular Mass
181.0796192
Exact Mass
181.03261849
Charge
0
InChI
InChI=1S/C4H5F6N/c5-3(6,7)1-11-2-4(8,9)10/h11H,1-2H2
InChIKey
GTJGHXLFPMOKCE-UHFFFAOYSA-N
Canonic Smiles
FC(CNCC(F)(F)F)(F)F
Isomeric Smiles
N(CC(F)(F)F)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7173072
LogD (pH = 7.4)
1.7173139
Log P
1.717314
Molar Refractivity
25.5936
Polarizability
9.323373
Polar Surface Area
12.03
Rotatable Bonds
4
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