Molecule

ID:98751

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂F₃N₂O
Molecular Mass
323.0979896
Exact Mass
321.98875287
Charge
0
InChI
InChI=1S/C12H7Cl2F3N2O/c13-7-4-6(18)5-8(14)11(7)20-10-3-1-2-9(19-10)12(15,16)17/h1-5H,18H2
InChIKey
CWQXGJBKVFMXOD-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)c(c(c1)Cl)Oc1cccc(n1)C(F)(F)F
Isomeric Smiles
n1c(cccc1C(F)(F)F)Oc1c(cc(cc1Cl)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4925723
LogD (pH = 7.4)
4.4931726
Log P
4.4931803
Molar Refractivity
70.3671
Polarizability
26.029886
Polar Surface Area
48.14
Rotatable Bonds
3
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