Molecule

ID:69568

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNS
Molecular Mass
169.63136
Exact Mass
168.97529781
Charge
0
InChI
InChI=1S/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey
BSQLQMLFTHJVKS-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(s1)cccc2
Isomeric Smiles
s1c(nc2c1cccc2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.027484
LogD (pH = 7.4)
3.027486
Log P
3.027486
Molar Refractivity
42.1546
Polarizability
17.604786
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