Molecule

ID:64262

General Information
Structure
Molecular Formula
C₄HCl₂NOS
Molecular Mass
182.02784
Exact Mass
180.91559002
Charge
0
InChI
InChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKey
CFEKBKCGPASOFI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1Cl)Cl
Isomeric Smiles
n1c(c(sc1Cl)C=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2152166
LogD (pH = 7.4)
2.2152166
Log P
2.2152166
Molar Refractivity
38.5265
Polarizability
14.245218
Polar Surface Area
29.96
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
No Data Available
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Molecule Details
References
Bioactivity
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