Molecule

ID:52324

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClIN
Molecular Mass
263.46289
Exact Mass
262.89987478
Charge
0
InChI
InChI=1S/C7H3ClIN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKey
YRQAIFRITOPIGE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1I)Cl
Isomeric Smiles
C(#N)c1c(cc(cc1)Cl)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3623312
LogD (pH = 7.4)
3.3623312
Log P
3.3623312
Molar Refractivity
49.9469
Polarizability
19.310965
Polar Surface Area
23.79
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