Molecule

ID:58950

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₂N₂OS₂
Molecular Mass
293.19274
Exact Mass
291.92986018
Charge
0
InChI
InChI=1S/C9H6Cl2N2OS2/c10-5-1-2-7(6(11)3-5)14-4-8-12-13-9(15)16-8/h1-3H,4H2,(H,13,15)
InChIKey
ZEVRVGVDJKPWFO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCc1nnc(s1)S
Isomeric Smiles
n1nc(sc1COc1c(cc(cc1)Cl)Cl)S
Calculated Properties
JChem
Acid pKa
6.0947156
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2795365
LogD (pH = 7.4)
2.2922843
Log P
3.3738067
Molar Refractivity
68.8847
Polarizability
26.331984
Polar Surface Area
35.01
Rotatable Bonds
3
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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