Molecule

ID:61468

General Information
Structure
MolImage
Molecular Formula
C₉H₃BrClF₃N₂
Molecular Mass
311.4857296
Exact Mass
309.91202245
Charge
0
InChI
InChI=1S/C9H3BrClF3N2/c10-5-3-15-8(11)4-1-2-6(9(12,13)14)16-7(4)5/h1-3H
InChIKey
VMXJJEPJVHNBJF-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c2c1nc(cc2)C(F)(F)F)Cl
Isomeric Smiles
c1(ccc2c(n1)c(cnc2Cl)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7699013
LogD (pH = 7.4)
3.7699013
Log P
3.7699013
Molar Refractivity
56.913
Polarizability
22.25195
Polar Surface Area
25.78
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