Molecule

ID:45038

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂FN₂O
Molecular Mass
273.0904832
Exact Mass
271.99194643
Charge
0
InChI
InChI=1S/C11H7Cl2FN2O/c1-17-9-5-15-11(16-10(9)13)7-4-6(12)2-3-8(7)14/h2-5H,1H3
InChIKey
HXONUCHQEHIUHR-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1Cl)c1cc(Cl)ccc1F
Isomeric Smiles
c1(nc(c(cn1)OC)Cl)c1c(ccc(c1)Cl)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.770722
LogD (pH = 7.4)
3.7707248
Log P
3.7707248
Molar Refractivity
75.4839
Polarizability
24.923342
Polar Surface Area
35.01
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