Molecule

ID:19989

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClF₂NO
Molecular Mass
255.6478264
Exact Mass
255.026248
Charge
0
InChI
InChI=1S/C12H8ClF2NO/c13-9-6-8(2-3-10(9)15)17-12-4-1-7(14)5-11(12)16/h1-6H,16H2
InChIKey
PSKOPLXARJLMOP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(c(cc(cc1)F)N)Oc1cc(c(cc1)F)Cl
Calculated Properties
JChem
Acid pKa
19.132172
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5339942
LogD (pH = 7.4)
3.5340548
Log P
3.5340557
Molar Refractivity
62.2368
Polarizability
23.126884
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