Molecule

ID:97283

General Information
Structure
Molecular Formula
C₆H₄F₂IN
Molecular Mass
255.0039364
Exact Mass
254.93565357
Charge
0
InChI
InChI=1S/C6H4F2IN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
IPXQDOGSRPHRAL-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)I)N
Isomeric Smiles
Nc1c(cc(cc1I)F)F
Calculated Properties
JChem
Acid pKa
17.138256
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3586545
LogD (pH = 7.4)
2.358668
Log P
2.3586683
Molar Refractivity
44.5537
Polarizability
16.444925
Polar Surface Area
26.02
Rotatable Bonds
0
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