Molecule

ID:18232

General Information
Structure
Molecular Formula
C₃HClN₂OS
Molecular Mass
148.57084
Exact Mass
147.94981134
Charge
0
InChI
InChI=1S/C3HClN2OS/c4-3(7)2-1-8-6-5-2/h1H
InChIKey
HSDHDEOGCBGOKV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1csnn1
Isomeric Smiles
c1(nnsc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1387463
LogD (pH = 7.4)
1.1387463
Log P
1.1387463
Molar Refractivity
31.0987
Polarizability
11.317769
Polar Surface Area
42.85
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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