Molecule

ID:68194

General Information
Structure
MolImage
Molecular Formula
C₉H₆FN
Molecular Mass
147.1490432
Exact Mass
147.04842742
Charge
0
InChI
InChI=1S/C9H6FN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
InChIKey
RMDCSDVIVXJELQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)cccn2
Isomeric Smiles
n1cccc2cc(ccc12)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2679305
LogD (pH = 7.4)
2.2735305
Log P
2.2736025
Molar Refractivity
40.1957
Polarizability
16.598885
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