Molecule

ID:100700

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₂FNO₃
Molecular Mass
238.0000832
Exact Mass
236.93957651
Charge
0
InChI
InChI=1S/C7H2Cl2FNO3/c8-4-2-5(10)6(11(13)14)1-3(4)7(9)12/h1-2H
InChIKey
IHEPGSXLLLUYDW-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(C(=O)Cl)c(cc1F)Cl
Isomeric Smiles
O=C(c1c(cc(c(c1)[N+](=O)[O-])F)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8508892
LogD (pH = 7.4)
2.8508892
Log P
2.8508892
Molar Refractivity
49.5186
Polarizability
17.955673
Polar Surface Area
62.89
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