Molecule

ID:98182

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrFNO
Molecular Mass
191.9858232
Exact Mass
190.93820394
Charge
0
InChI
InChI=1S/C5H3BrFNO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
InChIKey
GNXBRKDCLLYOHE-UHFFFAOYSA-N
Canonic Smiles
Oc1c(F)cncc1Br
Isomeric Smiles
n1cc(c(c(c1)F)O)Br
Calculated Properties
JChem
Acid pKa
8.418868
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3629513
LogD (pH = 7.4)
1.3248016
Log P
1.3634627
Molar Refractivity
33.7212
Polarizability
12.923369
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