Molecule

ID:101447

General Information
Structure
MolImage
Molecular Formula
C₄HCl₂NOS
Molecular Mass
182.02784
Exact Mass
180.91559002
Charge
0
InChI
InChI=1S/C4HCl2NOS/c5-3(8)2-1-7-4(6)9-2/h1H
InChIKey
GZSJPOBGZMUSPV-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(s1)C(=O)Cl
Isomeric Smiles
c1(sc(nc1)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8694048
LogD (pH = 7.4)
1.8694049
Log P
1.8694049
Molar Refractivity
37.1911
Polarizability
14.158707
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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