Molecule

ID:9795

General Information
Structure
Loading...
Molecular Formula
C₃H₄ClNS
Molecular Mass
121.58856
Exact Mass
120.97529781
Charge
0
InChI
InChI=1S/C3H4ClNS/c4-1-2-5-3-6/h1-2H2
InChIKey
ZUWFBQUHBOUPFK-UHFFFAOYSA-N
Canonic Smiles
ClCCN=C=S
Isomeric Smiles
ClCCN=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7341399
LogD (pH = 7.4)
1.7341399
Log P
1.7341399
Molar Refractivity
30.6724
Polarizability
11.961611
Polar Surface Area
12.36
Rotatable Bonds
2
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...