Molecule

ID:95026

General Information
Structure
Molecular Formula
C₇H₇BrFN
Molecular Mass
204.0395832
Exact Mass
202.97458945
Charge
0
InChI
InChI=1S/C7H7BrFN/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,10H2,1H3
InChIKey
DSYSVUWIAUMZDQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(N)c(c(c1)Br)C
Isomeric Smiles
Brc1c(c(cc(c1)F)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5688753
LogD (pH = 7.4)
2.5691917
Log P
2.5691957
Molar Refractivity
43.6388
Polarizability
15.846835
Polar Surface Area
26.02
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