Molecule

ID:20449

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂F₂NO
Molecular Mass
292.1087664
Exact Mass
291.00292571
Charge
0
InChI
InChI=1S/C12H8ClF2NO.ClH/c13-9-6-8(2-3-10(9)14)17-12-4-1-7(16)5-11(12)15;/h1-6H,16H2;1H
InChIKey
VMYLXOPRDWUQHM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1ccc(c(c1)Cl)F.Cl
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1cc(c(cc1)F)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.532487
LogD (pH = 7.4)
3.534036
Log P
3.5340557
Molar Refractivity
62.2368
Polarizability
23.12505
Polar Surface Area
35.25
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