Molecule

ID:50861

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClF₂N
Molecular Mass
149.5258864
Exact Mass
148.98438319
Charge
0
InChI
InChI=1S/C5H2ClF2N/c6-3-1-5(8)9-2-4(3)7/h1-2H
InChIKey
SWZRBNKRTCXHPT-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(c1)Cl)F
Isomeric Smiles
c1(cc(c(cn1)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0389526
LogD (pH = 7.4)
2.0389526
Log P
2.0389526
Molar Refractivity
30.1534
Polarizability
10.982723
Polar Surface Area
12.89
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