Molecule

ID:9562

General Information
Structure
MolImage
Molecular Formula
C₆H₃FN₂O₅
Molecular Mass
202.0968232
Exact Mass
202.00259943
Charge
0
InChI
InChI=1S/C6H3FN2O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H
InChIKey
MDOWEUXXLVBZIU-UHFFFAOYSA-N
Canonic Smiles
Fc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Isomeric Smiles
[N+](=O)(c1c(O)c([N+](=O)[O-])cc(c1)F)[O-]
Calculated Properties
JChem
Acid pKa
3.925505
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.27830923
LogD (pH = 7.4)
-0.18498777
Log P
1.6923509
Molar Refractivity
40.8963
Polarizability
14.842071
Polar Surface Area
106.51
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