Molecule

ID:51440

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClFN
Molecular Mass
181.5941032
Exact Mass
181.00945507
Charge
0
InChI
InChI=1S/C9H5ClFN/c10-8-5-4-6-2-1-3-7(11)9(6)12-8/h1-5H
InChIKey
CSPMWYOOKWBXRI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(n1)c(F)ccc2
Isomeric Smiles
n1c(ccc2cccc(c12)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0978243
LogD (pH = 7.4)
3.0978243
Log P
3.0978243
Molar Refractivity
46.0618
Polarizability
18.520136
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation