Molecule

ID:85620

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₃
Molecular Mass
195.4736
Exact Mass
193.9456832
Charge
0
InChI
InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey
LBOBESSDSGODDD-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(Cl)cccc1Cl
Isomeric Smiles
Clc1cccc(c1CCl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7685773
LogD (pH = 7.4)
3.7685773
Log P
3.7685773
Molar Refractivity
45.5345
Polarizability
17.795204
Polar Surface Area
0.0
Rotatable Bonds
1
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