Molecule

ID:38383

General Information
Structure
Molecular Formula
C₇H₂F₆N₂O₂
Molecular Mass
260.0933992
Exact Mass
260.00204663
Charge
0
InChI
InChI=1S/C7H2F6N2O2/c8-6(9,10)3-2(4(16)17)1-14-5(15-3)7(11,12)13/h1H,(H,16,17)
InChIKey
RUHKDOFTFCXTBX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc(nc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(nc(c(cn1)C(=O)O)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.6694958
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6275728
LogD (pH = 7.4)
-0.897229
Log P
2.4569716
Molar Refractivity
41.2148
Polarizability
14.4466095
Polar Surface Area
63.08
Rotatable Bonds
3
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