Molecule

ID:100370

General Information
Structure
MolImage
Molecular Formula
C₄H₇F₄N
Molecular Mass
145.0986928
Exact Mass
145.05146211
Charge
0
InChI
InChI=1S/C4H7F4N/c1-9(2)4(7,8)3(5)6/h3H,1-2H3
InChIKey
VIRGYRZBWQFJGJ-UHFFFAOYSA-N
Canonic Smiles
FC(C(N(C)C)(F)F)F
Isomeric Smiles
N(C)(C(C(F)F)(F)F)C
Calculated Properties
JChem
Acid pKa
19.83524
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5046439
LogD (pH = 7.4)
1.5046439
Log P
1.5046439
Molar Refractivity
25.1136
Polarizability
9.143754
Polar Surface Area
3.24
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