Molecule

ID:94153

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFNO₂
Molecular Mass
175.5449232
Exact Mass
174.98363424
Charge
0
InChI
InChI=1S/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H
InChIKey
KQOOFMWRLDRDAX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)F)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6599767
LogD (pH = 7.4)
2.6599767
Log P
2.6599767
Molar Refractivity
37.3997
Polarizability
14.005051
Polar Surface Area
43.14
Rotatable Bonds
1
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