Molecule

ID:98184

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrFNO
Molecular Mass
191.9858232
Exact Mass
190.93820394
Charge
0
InChI
InChI=1S/C5H3BrFNO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9)
InChIKey
FMIJSVNNAUFAAC-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(c(c1)O)F
Isomeric Smiles
n1c(cc(c(c1)F)O)Br
Calculated Properties
JChem
Acid pKa
8.346922
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5683818
LogD (pH = 7.4)
1.523646
Log P
1.5689846
Molar Refractivity
34.5634
Polarizability
12.961505
Polar Surface Area
33.12
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