Molecule

ID:56495

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₃NOS
Molecular Mass
342.62754
Exact Mass
340.92356786
Charge
0
InChI
InChI=1S/C14H6Cl3NOS/c15-7-1-2-10-8(5-7)9(14(17)19)6-11(18-10)12-3-4-13(16)20-12/h1-6H
InChIKey
PTQHWHIDSJWFCL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)c1nc2ccc(cc2c(c1)C(=O)Cl)Cl
Isomeric Smiles
c1(c2c(nc(c3sc(cc3)Cl)c1)ccc(c2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.506122
LogD (pH = 7.4)
5.506122
Log P
5.506122
Molar Refractivity
81.5176
Polarizability
34.101627
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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