Molecule

ID:95811

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂FN₂O
Molecular Mass
285.1011832
Exact Mass
283.99194643
Charge
0
InChI
InChI=1S/C12H7Cl2FN2O/c13-9-6-7(15)3-4-8(9)12(18)17-10-2-1-5-16-11(10)14/h1-6H,(H,17,18)
InChIKey
ZTFAIODYRNJODX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)C(=O)Nc1cccnc1Cl
Isomeric Smiles
N(c1cccnc1Cl)C(=O)c1c(cc(cc1)F)Cl
Calculated Properties
JChem
Acid pKa
9.562075
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4183843
LogD (pH = 7.4)
3.4155946
Log P
3.4184268
Molar Refractivity
70.3219
Polarizability
25.662985
Polar Surface Area
41.99
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