Molecule

ID:16341

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClIN
Molecular Mass
239.44149
Exact Mass
238.89987478
Charge
0
InChI
InChI=1S/C5H3ClIN/c6-4-2-1-3-5(7)8-4/h1-3H
InChIKey
LSAOLINSZGYDOV-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(n1)I
Isomeric Smiles
c1c(nc(cc1)Cl)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5413272
LogD (pH = 7.4)
2.5413272
Log P
2.5413272
Molar Refractivity
42.8378
Polarizability
16.788736
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
References
Bioactivity
Navigation