Molecule

ID:36989

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₂NOS₂
Molecular Mass
278.1781
Exact Mass
276.91896115
Charge
0
InChI
InChI=1S/C9H5Cl2NOS2/c10-5-1-6(11)3-7(2-5)12-8(13)4-15-9(12)14/h1-3H,4H2
InChIKey
FFNJJWDEKZZMLE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)N1C(=S)SCC1=O
Isomeric Smiles
N1(C(=O)CSC1=S)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
17.402544
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7018292
LogD (pH = 7.4)
3.7018292
Log P
3.7018292
Molar Refractivity
67.8144
Polarizability
26.640102
Polar Surface Area
20.31
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
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Molecule Details
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References
Bioactivity
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