Molecule

ID:72206

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₂IN₂
Molecular Mass
258.0078764
Exact Mass
257.94655261
Charge
0
InChI
InChI=1S/C5H5F2IN2/c1-3-4(8)2-9-10(3)5(6)7/h2,5H,1H3
InChIKey
PMHORGQIWZDIFV-UHFFFAOYSA-N
Canonic Smiles
FC(n1ncc(c1C)I)F
Isomeric Smiles
n1(c(c(cn1)I)C)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4563484
LogD (pH = 7.4)
2.4563696
Log P
2.4563699
Molar Refractivity
53.4825
Polarizability
15.975165
Polar Surface Area
17.82
Rotatable Bonds
1
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