Molecule

ID:96587

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₂NO₃
Molecular Mass
221.5454864
Exact Mass
220.96912705
Charge
0
InChI
InChI=1S/C7H2ClF2NO3/c8-7(12)5-3(9)1-2-4(6(5)10)11(13)14/h1-2H
InChIKey
URMNSJGLMUMDDC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1F)C(=O)Cl)F
Isomeric Smiles
[N+](=O)(c1ccc(c(c1F)C(=O)Cl)F)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3895464
LogD (pH = 7.4)
2.3895464
Log P
2.3895464
Molar Refractivity
44.9302
Polarizability
15.845335
Polar Surface Area
62.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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