Molecule

ID:66563

General Information
Structure
MolImage
Molecular Formula
C₃H₂ClNS
Molecular Mass
119.57268
Exact Mass
118.95964775
Charge
0
InChI
InChI=1S/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H
InChIKey
KLEYVGWAORGTIT-UHFFFAOYSA-N
Canonic Smiles
Clc1nccs1
Isomeric Smiles
s1c(ncc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5460455
LogD (pH = 7.4)
1.5460528
Log P
1.5460529
Molar Refractivity
26.2923
Polarizability
10.189752
Polar Surface Area
12.89
Rotatable Bonds
0
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...