Molecule

ID:96021

General Information
Structure
MolImage
Molecular Formula
C₁₀H₃Cl₂F₂NO₂
Molecular Mass
278.0391264
Exact Mass
276.95089014
Charge
0
InChI
InChI=1S/C10H3Cl2F2NO2/c11-7-8(12)10(17)15(9(7)16)4-1-2-5(13)6(14)3-4/h1-3H
InChIKey
JIAFUHKGKJWZLR-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2ccc(c(c2)F)F)C(=O)C(=C1Cl)Cl
Isomeric Smiles
N1(c2cc(c(cc2)F)F)C(=O)C(=C(C1=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.30904
LogD (pH = 7.4)
2.30904
Log P
2.30904
Molar Refractivity
58.0411
Polarizability
21.462133
Polar Surface Area
37.38
Rotatable Bonds
1
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