Molecule

ID:136357

General Information
Structure
Loading...
Molecular Formula
C₆H₈ClNS
Molecular Mass
161.65242
Exact Mass
161.00659794
Charge
0
InChI
InChI=1S/C6H8ClNS/c1-4-5(2)9-6(3-7)8-4/h3H2,1-2H3
InChIKey
HZAMXRLIALOFOF-UHFFFAOYSA-N
Canonic Smiles
ClCc1sc(c(n1)C)C
Isomeric Smiles
Cc1c(sc(n1)CCl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0690846
LogD (pH = 7.4)
2.0696707
Log P
2.069678
Molar Refractivity
40.1081
Polarizability
15.337393
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...